 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer13_STD_M11_def2SVPD.in
 Output=12_L-valine_conformer13_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-4182.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      4208.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer13_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer13_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.440615000000      0.153795000000     -0.669675000000
  C                                                 1.139680000000     -0.482678000000     -0.185187000000
  C                                                -0.064388000000      0.433960000000     -0.468576000000
  C                                                -1.393633000000     -0.311348000000     -0.237189000000
  O                                                -2.341078000000      0.435941000000      0.339139000000
  C                                                 1.225474000000     -0.882175000000      1.288520000000
  N                                                -0.086110000000      1.714563000000      0.252336000000
  O                                                -1.573078000000     -1.451319000000     -0.570526000000
  H                                                -0.064405000000      0.666302000000     -1.537552000000
  H                                                 0.955080000000     -1.389343000000     -0.764288000000
  H                                                -1.913463000000      1.308566000000      0.499915000000
  H                                                 0.364571000000      1.641581000000      1.156509000000
  H                                                 0.373024000000      2.450485000000     -0.265418000000
  H                                                 0.304091000000     -1.355802000000      1.629384000000
  H                                                 2.039602000000     -1.591968000000      1.440373000000
  H                                                 1.432706000000     -0.023887000000      1.934977000000
  H                                                 2.391139000000      0.402937000000     -1.732114000000
  H                                                 2.666906000000      1.070641000000     -0.118883000000
  H                                                 3.280277000000     -0.527749000000     -0.525512000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.527173   0.000000
     3  C    2.528631   1.539583   0.000000
     4  C    3.886497   2.539632   1.541401   0.000000
     5  O    4.895089   3.637919   2.415724   1.337253   0.000000
     6  C    2.526723   1.529304   2.546241   3.084372   3.919062
     7  N    3.109733   2.553792   1.469738   2.460400   2.593702
     8  O    4.323882   2.906167   2.416778   1.201186   2.231382
     9  H    2.700185   2.144497   1.093934   2.100855   2.959438
    10  H    2.144071   1.091548   2.109785   2.637491   3.926050
    11  H    4.653969   3.605496   2.263181   1.854095   0.984976
    12  H    3.139811   2.629338   2.069603   2.974493   3.072816
    13  H    3.116591   3.032762   2.073397   3.278658   3.433690
    14  H    3.482713   2.180189   2.782168   2.730796   3.445576
    15  H    2.767815   2.163985   3.489304   4.030050   4.951312
    16  H    2.798511   2.188938   2.868446   3.576189   4.123055
    17  H    1.092381   2.177946   2.761721   4.131525   5.165758
    18  H    1.093246   2.179361   2.826237   4.290905   5.068780
    19  H    1.091017   2.167950   3.480648   4.687792   5.768531
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.088200   0.000000
     8  O    3.407619   3.593186   0.000000
     9  H    3.471059   2.074373   2.774086   0.000000
    10  H    2.131749   3.428095   2.536330   2.421356   0.000000
    11  H    3.908218   1.888213   2.979710   2.825383   4.135875
    12  H    2.669817   1.012901   4.037718   2.897094   3.636573
    13  H    3.774655   1.010175   4.370867   2.234497   3.915602
    14  H    1.090622   3.387574   2.893526   3.775471   2.480842
    15  H    1.090720   4.106486   4.137022   4.288900   2.465314
    16  H    1.094308   2.856622   4.165314   3.843977   3.062455
    17  H    3.483463   3.434409   4.527976   2.477279   2.492232
    18  H    2.805708   2.851585   4.953961   3.104218   3.065684
    19  H    2.763792   4.118929   4.940654   3.692815   2.491164
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.394045   0.000000
    13  H    2.667909   1.635932   0.000000
    14  H    3.645834   3.035057   4.252393   0.000000
    15  H    4.992422   3.652690   4.693467   1.761675   0.000000
    16  H    3.877071   2.126196   3.476662   1.772331   1.752665
    17  H    4.932719   3.739700   3.227451   4.329965   3.764027
    18  H    4.628099   2.693203   2.680921   3.811425   3.148694
    19  H    5.603435   4.004563   4.170090   3.766554   2.556666
                   16         17         18         19
    16  H    0.000000
    17  H    3.814227   0.000000
    18  H    2.634309   1.767595   0.000000
    19  H    3.117916   1.764265   1.759665   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0457750           1.4734547           1.2560050
 Leave Link  202 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.5379247680 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:44:01 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.77D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:44:02 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:44:02 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer13_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:44:03 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.871420034459    
 DIIS: error= 4.54D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.871420034459     IErMin= 1 ErrMin= 4.54D-03
 ErrMax= 4.54D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-02 BMatP= 1.77D-02
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.54D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 GapD=    0.441 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.68D-03 MaxDP=1.06D-01              OVMax= 1.91D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.68D-03    CP:  1.00D+00
 E= -401.889104858627     Delta-E=       -0.017684824169 Rises=F Damp=F
 DIIS: error= 1.32D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.889104858627     IErMin= 2 ErrMin= 1.32D-03
 ErrMax= 1.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.41D-04 BMatP= 1.77D-02
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.32D-02
 Coeff-Com: -0.400D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.394D-02 0.100D+01
 Gap=     0.415 Goal=   None    Shift=    0.000
 RMSDP=1.09D-03 MaxDP=3.41D-02 DE=-1.77D-02 OVMax= 8.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.48D-04    CP:  9.98D-01  1.17D+00
 E= -401.889815897320     Delta-E=       -0.000711038692 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.889815897320     IErMin= 3 ErrMin= 1.17D-03
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.15D-04 BMatP= 9.41D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02
 Coeff-Com: -0.634D-01 0.482D+00 0.581D+00
 Coeff-En:   0.000D+00 0.925D-02 0.991D+00
 Coeff:     -0.626D-01 0.477D+00 0.586D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.56D-04 MaxDP=5.68D-03 DE=-7.11D-04 OVMax= 4.74D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.24D-04    CP:  9.98D-01  1.19D+00  9.60D-01
 E= -401.890290138852     Delta-E=       -0.000474241533 Rises=F Damp=F
 DIIS: error= 2.05D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.890290138852     IErMin= 4 ErrMin= 2.05D-04
 ErrMax= 2.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-05 BMatP= 7.15D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.05D-03
 Coeff-Com: -0.168D-01 0.552D-01 0.156D+00 0.806D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.168D-01 0.551D-01 0.155D+00 0.806D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=7.14D-05 MaxDP=2.24D-03 DE=-4.74D-04 OVMax= 1.29D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.49D-05    CP:  9.97D-01  1.19D+00  1.01D+00  1.12D+00
 E= -401.890311513827     Delta-E=       -0.000021374975 Rises=F Damp=F
 DIIS: error= 8.51D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.890311513827     IErMin= 5 ErrMin= 8.51D-05
 ErrMax= 8.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-06 BMatP= 2.24D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.253D-02-0.451D-01-0.289D-01 0.315D+00 0.756D+00
 Coeff:      0.253D-02-0.451D-01-0.289D-01 0.315D+00 0.756D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=2.61D-05 MaxDP=8.53D-04 DE=-2.14D-05 OVMax= 7.46D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.10D-05    CP:  9.97D-01  1.19D+00  1.02D+00  1.16D+00  1.01D+00
 E= -401.890316031060     Delta-E=       -0.000004517233 Rises=F Damp=F
 DIIS: error= 3.68D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.890316031060     IErMin= 6 ErrMin= 3.68D-05
 ErrMax= 3.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.94D-07 BMatP= 4.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.271D-02-0.265D-01-0.282D-01 0.811D-01 0.357D+00 0.614D+00
 Coeff:      0.271D-02-0.265D-01-0.282D-01 0.811D-01 0.357D+00 0.614D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=6.85D-06 MaxDP=2.26D-04 DE=-4.52D-06 OVMax= 2.34D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.81D-06    CP:  9.97D-01  1.19D+00  1.03D+00  1.17D+00  1.04D+00
                    CP:  1.11D+00
 E= -401.890316622671     Delta-E=       -0.000000591611 Rises=F Damp=F
 DIIS: error= 6.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.890316622671     IErMin= 7 ErrMin= 6.07D-06
 ErrMax= 6.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.29D-08 BMatP= 6.94D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.294D-03 0.394D-04-0.259D-02-0.286D-01-0.264D-01 0.158D+00
 Coeff-Com:  0.899D+00
 Coeff:      0.294D-03 0.394D-04-0.259D-02-0.286D-01-0.264D-01 0.158D+00
 Coeff:      0.899D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=4.55D-06 MaxDP=1.81D-04 DE=-5.92D-07 OVMax= 1.15D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.63D-06    CP:  9.97D-01  1.19D+00  1.03D+00  1.17D+00  1.07D+00
                    CP:  1.24D+00  1.21D+00
 E= -401.890316693747     Delta-E=       -0.000000071076 Rises=F Damp=F
 DIIS: error= 2.80D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.890316693747     IErMin= 8 ErrMin= 2.80D-06
 ErrMax= 2.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.77D-09 BMatP= 4.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-03 0.249D-02 0.207D-02-0.158D-01-0.393D-01-0.204D-01
 Coeff-Com:  0.243D+00 0.828D+00
 Coeff:     -0.167D-03 0.249D-02 0.207D-02-0.158D-01-0.393D-01-0.204D-01
 Coeff:      0.243D+00 0.828D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=1.62D-06 MaxDP=6.74D-05 DE=-7.11D-08 OVMax= 4.29D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.34D-07    CP:  9.97D-01  1.19D+00  1.03D+00  1.17D+00  1.08D+00
                    CP:  1.29D+00  1.32D+00  1.20D+00
 E= -401.890316701368     Delta-E=       -0.000000007620 Rises=F Damp=F
 DIIS: error= 7.96D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.890316701368     IErMin= 9 ErrMin= 7.96D-07
 ErrMax= 7.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.34D-10 BMatP= 4.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.859D-04 0.814D-03 0.102D-02-0.223D-02-0.963D-02-0.293D-01
 Coeff-Com: -0.316D-01 0.282D+00 0.789D+00
 Coeff:     -0.859D-04 0.814D-03 0.102D-02-0.223D-02-0.963D-02-0.293D-01
 Coeff:     -0.316D-01 0.282D+00 0.789D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=6.19D-07 MaxDP=3.86D-05 DE=-7.62D-09 OVMax= 1.80D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.28D-07    CP:  9.97D-01  1.19D+00  1.03D+00  1.17D+00  1.08D+00
                    CP:  1.30D+00  1.36D+00  1.32D+00  1.18D+00
 E= -401.890316702554     Delta-E=       -0.000000001186 Rises=F Damp=F
 DIIS: error= 2.50D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.890316702554     IErMin=10 ErrMin= 2.50D-07
 ErrMax= 2.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-11 BMatP= 7.34D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.516D-06-0.103D-03-0.227D-04 0.125D-02 0.272D-02-0.296D-02
 Coeff-Com: -0.291D-01-0.451D-01 0.124D+00 0.950D+00
 Coeff:     -0.516D-06-0.103D-03-0.227D-04 0.125D-02 0.272D-02-0.296D-02
 Coeff:     -0.291D-01-0.451D-01 0.124D+00 0.950D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=2.03D-07 MaxDP=6.62D-06 DE=-1.19D-09 OVMax= 7.28D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  9.97D-01  1.19D+00  1.03D+00  1.17D+00  1.08D+00
                    CP:  1.31D+00  1.37D+00  1.37D+00  1.29D+00  1.13D+00
 E= -401.890316702677     Delta-E=       -0.000000000123 Rises=F Damp=F
 DIIS: error= 9.06D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.890316702677     IErMin=11 ErrMin= 9.06D-08
 ErrMax= 9.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-12 BMatP= 5.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-04-0.124D-03-0.135D-03 0.574D-03 0.183D-02 0.279D-02
 Coeff-Com: -0.288D-02-0.454D-01-0.614D-01 0.230D+00 0.874D+00
 Coeff:      0.108D-04-0.124D-03-0.135D-03 0.574D-03 0.183D-02 0.279D-02
 Coeff:     -0.288D-02-0.454D-01-0.614D-01 0.230D+00 0.874D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=6.78D-08 MaxDP=2.39D-06 DE=-1.23D-10 OVMax= 2.73D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.17D-08    CP:  9.97D-01  1.19D+00  1.03D+00  1.17D+00  1.08D+00
                    CP:  1.31D+00  1.37D+00  1.37D+00  1.34D+00  1.22D+00
                    CP:  1.14D+00
 E= -401.890316702695     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 4.48D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.890316702695     IErMin=12 ErrMin= 4.48D-08
 ErrMax= 4.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.26D-13 BMatP= 6.98D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-05-0.498D-05-0.155D-04-0.650D-04-0.826D-04 0.688D-03
 Coeff-Com:  0.301D-02-0.130D-02-0.216D-01-0.785D-01 0.114D+00 0.983D+00
 Coeff:      0.146D-05-0.498D-05-0.155D-04-0.650D-04-0.826D-04 0.688D-03
 Coeff:      0.301D-02-0.130D-02-0.216D-01-0.785D-01 0.114D+00 0.983D+00
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=2.17D-08 MaxDP=7.91D-07 DE=-1.80D-11 OVMax= 1.23D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.35D-08    CP:  9.97D-01  1.19D+00  1.03D+00  1.17D+00  1.08D+00
                    CP:  1.31D+00  1.37D+00  1.37D+00  1.35D+00  1.23D+00
                    CP:  1.23D+00  1.23D+00
 E= -401.890316702690     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 2.05D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.890316702695     IErMin=13 ErrMin= 2.05D-08
 ErrMax= 2.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.75D-14 BMatP= 7.26D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-05 0.154D-04 0.159D-04-0.810D-04-0.249D-03-0.271D-03
 Coeff-Com:  0.751D-03 0.551D-02 0.539D-02-0.390D-01-0.105D+00 0.129D+00
 Coeff-Com:  0.100D+01
 Coeff:     -0.121D-05 0.154D-04 0.159D-04-0.810D-04-0.249D-03-0.271D-03
 Coeff:      0.751D-03 0.551D-02 0.539D-02-0.390D-01-0.105D+00 0.129D+00
 Coeff:      0.100D+01
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=8.24D-09 MaxDP=2.32D-07 DE= 5.00D-12 OVMax= 5.53D-07

 SCF Done:  E(RM11) =  -401.890316703     A.U. after   13 cycles
            NFock= 13  Conv=0.82D-08     -V/T= 2.0115
 KE= 3.973257553521D+02 PE=-1.752925722431D+03 EE= 5.451717256080D+02
 Leave Link  502 at Thu Aug 12 21:46:14 2021, MaxMem=  5368709120 cpu:            1041.8 elap:             130.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.36963209D+02

 Leave Link  801 at Thu Aug 12 21:46:14 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 1.70D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.45D-01 4.25D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.94D-02 2.80D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.64D-03 7.37D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 9.28D-05 1.47D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.16D-06 2.38D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.02D-07 4.79D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.93D-09 7.26D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 6.52D-11 1.01D-06.
      9 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 9.94D-13 1.41D-07.
      6 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.51D-14 1.81D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.847483D+02
      2 -0.155587D+00  0.794411D+02
      3 -0.184090D+01  0.144824D+01  0.698836D+02
 Isotropic polarizability for W=    0.088559       78.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.724169D+02 -0.736757D+01 -0.180407D+01
      2  -0.412654D+02  0.697005D+01 -0.152555D+00
      3  -0.311514D+02  0.397524D+00  0.195662D+01
      4  -0.622980D+01  0.372396D+02 -0.205210D+02
      5   0.545669D+01 -0.224393D+02  0.721770D+02
      6  -0.910554D+01  0.715234D+01 -0.198810D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.684642D+00 -0.203607D+00  0.121441D+01
      2   0.230528D+01 -0.777052D+01  0.334510D+02
      3   0.548136D+01 -0.174151D+02  0.813650D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.191830D+01  0.730490D+01  0.596335D+00
      2  -0.726076D+01 -0.114154D+02  0.103328D+03
      3   0.113777D+01 -0.785050D+02  0.133337D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.296585D+00 -0.519900D+00 -0.145718D+01
      2  -0.519900D+00  0.155672D+01 -0.906042D+00
      3  -0.145718D+01 -0.906042D+00 -0.209510D+00
 OR G Eigenvalues:    -1.9967     1.1026     1.9447  Iso=    -0.3502
 Eigenvectors:
   (1)   0.672810   0.273692   0.687327
   (2)   0.736788  -0.331842  -0.589088
   (3)   0.066855   0.902759  -0.424920
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3502 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =     -151.59 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 4.90D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.15D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 2.80D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.55D-02 3.67D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 2.07D-03 4.94D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 3.03D-05 8.24D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 3.77D-07 5.37D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 3.86D-09 7.08D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 3.19D-11 5.30D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 2.50D-13 5.10D-08.
      6 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 1.98D-15 4.58D-09.
      3 vectors produced by pass  9 Test12= 1.97D-14 2.78D-09 XBig12= 1.60D-15 4.31D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   249 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.20D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.20D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.18D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.847483D+02 -0.155587D+00 -0.184090D+01
      2  -0.155587D+00  0.794411D+02  0.144824D+01
      3  -0.184090D+01  0.144824D+01  0.698836D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.684642D+00 -0.203607D+00  0.121441D+01
      2   0.230528D+01 -0.777052D+01  0.334510D+02
      3   0.548136D+01 -0.174151D+02  0.813650D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.724169D+02 -0.736757D+01 -0.180407D+01
      2  -0.412654D+02  0.697005D+01 -0.152555D+00
      3  -0.311514D+02  0.397524D+00  0.195662D+01
      4  -0.622980D+01  0.372396D+02 -0.205210D+02
      5   0.545669D+01 -0.224393D+02  0.721770D+02
      6  -0.910554D+01  0.715234D+01 -0.198810D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114568D+01  0.394519D+01 -0.217718D+01  0.460166D+01 -0.294389D+01
      2   0.394519D+01 -0.251350D+01 -0.990127D+00 -0.294389D+01 -0.220212D+01
      3  -0.217718D+01 -0.990127D+00  0.536616D+00 -0.908007D+00 -0.211204D+01
                 6             7             8             9            10 
      1  -0.908007D+00 -0.247190D+01 -0.574433D+00 -0.320619D+00  0.192822D+01
      2  -0.211204D+01 -0.574433D+00 -0.214924D+01 -0.292778D+01 -0.366019D+01
      3  -0.268765D+01 -0.320619D+00 -0.292778D+01  0.613948D+01  0.258930D+01
                11            12            13            14            15 
      1  -0.366019D+01  0.258930D+01 -0.464840D+01  0.183503D+01  0.974034D+00
      2   0.191504D+01  0.107698D+01  0.183503D+01  0.256675D+01  0.239927D+01
      3   0.107698D+01 -0.246856D+00  0.974034D+00  0.239927D+01  0.320408D+01
                16            17            18            19            20 
      1   0.299452D+01  0.747968D+00 -0.119576D+00 -0.985789D+00  0.354349D+01
      2   0.747968D+00  0.222200D+01  0.352981D+01  0.354349D+01 -0.759535D+00
      3  -0.119576D+00  0.352981D+01 -0.376576D+01 -0.629317D+00 -0.172129D+00
                21            22            23            24            25 
      1  -0.629317D+00  0.437148D+01  0.108371D+00  0.249182D+00 -0.704399D+00
      2  -0.172129D+00  0.108371D+00 -0.166679D+01 -0.102288D+01  0.728025D+00
      3   0.368572D-01  0.249182D+00 -0.102288D+01 -0.129175D+01  0.526647D-01
                26            27            28            29            30 
      1   0.728025D+00  0.526647D-01 -0.193103D+01 -0.201546D+01 -0.551665D-01
      2  -0.981084D+00 -0.216850D+01 -0.201546D+01  0.359707D+00  0.617816D+00
      3  -0.216850D+01  0.562454D+01 -0.551665D-01  0.617816D+00 -0.157851D+00
                31            32            33            34            35 
      1  -0.351021D+00  0.108198D+01  0.782908D+00  0.272426D+00  0.872509D+00
      2   0.108198D+01  0.501279D+01  0.156871D+01  0.872509D+00  0.190512D+01
      3   0.782908D+00  0.156871D+01  0.924954D+00  0.209893D+00  0.797832D+00
                36            37            38            39            40 
      1   0.209893D+00 -0.785011D+01  0.114101D+01  0.142425D+01 -0.231104D+01
      2   0.797832D+00  0.114101D+01 -0.203348D+01 -0.531604D+00 -0.326027D+01
      3   0.540418D-01  0.142425D+01 -0.531604D+00 -0.106261D+01 -0.587551D-01
                41            42            43            44            45 
      1  -0.326027D+01 -0.587551D-01  0.116918D+01 -0.618375D+00 -0.183231D+01
      2  -0.118648D+01 -0.195602D+00 -0.618375D+00 -0.591389D+00  0.689404D+00
      3  -0.195602D+00 -0.603049D-01 -0.183231D+01  0.689404D+00  0.187065D+01
                46            47            48            49            50 
      1   0.244826D+00  0.486675D+01 -0.303241D+01  0.481971D+01 -0.217547D+01
      2   0.486675D+01 -0.230185D+01 -0.652632D+00 -0.217547D+01 -0.163569D+00
      3  -0.303241D+01 -0.652632D+00  0.244252D+00 -0.753640D+00 -0.303894D+01
                51            52            53            54            55 
      1  -0.753640D+00 -0.237549D+01 -0.772281D+00  0.270420D+00 -0.835585D+00
      2  -0.303894D+01 -0.772281D+00 -0.246857D+01 -0.304547D+01 -0.962889D+00
      3  -0.244366D+01  0.270420D+00 -0.304547D+01  0.230122D+01 -0.111057D+00
                56            57            58            59            60 
      1  -0.962889D+00 -0.111057D+00 -0.931772D+00 -0.272183D+01  0.247955D+00
      2  -0.275427D+01  0.313205D+00 -0.272183D+01  0.247421D+01  0.205310D+01
      3   0.313205D+00 -0.202206D+01  0.247955D+00  0.205310D+01  0.122906D+00
                61            62            63            64            65 
      1   0.289170D-02  0.449207D+00 -0.229773D+01 -0.161977D+01 -0.284043D+01
      2   0.449207D+00  0.225604D+01  0.528858D+00 -0.284043D+01 -0.197381D+01
      3  -0.229773D+01  0.528858D+00 -0.211254D+01 -0.971620D+00 -0.856734D+00
                66            67            68            69            70 
      1  -0.971620D+00 -0.410136D+01 -0.214593D+01 -0.665741D+00 -0.131108D+01
      2  -0.856734D+00 -0.214593D+01 -0.116643D+02 -0.229671D+01 -0.584948D+00
      3  -0.510467D+00 -0.665741D+00 -0.229671D+01 -0.272585D+01 -0.102643D+01
                71            72            73            74            75 
      1  -0.584948D+00 -0.102643D+01  0.288880D+00 -0.245792D+00 -0.117902D+01
      2  -0.179051D+01 -0.318741D+01 -0.245792D+00  0.767948D-01  0.673560D-01
      3  -0.318741D+01 -0.250050D+01 -0.117902D+01  0.673560D-01 -0.926454D-01
                76            77            78            79            80 
      1  -0.539874D+00 -0.790932D-01  0.159097D+00 -0.180203D+01 -0.676650D-01
      2  -0.790932D-01  0.148847D+01 -0.131502D+01 -0.676650D-01 -0.163168D+01
      3   0.159097D+00 -0.131502D+01  0.132281D+01 -0.237109D+00  0.179633D+01
                81            82            83            84            85 
      1  -0.237109D+00 -0.102816D+01 -0.459585D+00 -0.111774D+01 -0.897842D+00
      2   0.179633D+01 -0.459585D+00 -0.315336D+00 -0.771455D-01 -0.460676D+00
      3  -0.790026D+01 -0.111774D+01 -0.771455D-01 -0.172836D+00 -0.210192D+00
                86            87            88            89            90 
      1  -0.460676D+00 -0.210192D+00 -0.158196D+01 -0.211593D+00 -0.594455D-01
      2  -0.558986D+01 -0.227212D+01 -0.211593D+00 -0.226709D+01 -0.232048D+01
      3  -0.227212D+01 -0.254295D+01 -0.594455D-01 -0.232048D+01 -0.223221D+01
                91            92            93            94            95 
      1   0.139334D+01  0.183507D+01 -0.122615D-01  0.444608D+01  0.342964D+00
      2   0.183507D+01  0.518524D+00  0.201746D+00  0.342964D+00  0.400415D+01
      3  -0.122615D-01  0.201746D+00 -0.269249D+00 -0.373861D+00  0.918757D+00
                96            97            98            99           100 
      1  -0.373861D+00  0.635128D+00 -0.530496D-01 -0.696668D+00  0.551092D+00
      2   0.918757D+00 -0.530496D-01  0.853417D+00  0.582762D+00  0.345739D+00
      3   0.104789D+01 -0.696668D+00  0.582762D+00  0.795135D+00  0.105799D+01
               101           102           103           104           105 
      1   0.345739D+00  0.105799D+01  0.218499D+00  0.594739D+00  0.632559D-01
      2   0.102688D+01  0.346308D+00  0.594739D+00  0.255362D+00  0.760734D+00
      3   0.346308D+00  0.167243D+01  0.632559D-01  0.760734D+00  0.107422D+00
               106           107           108           109           110 
      1   0.205751D+01 -0.406137D-01  0.170960D+01  0.108726D+01  0.153950D+01
      2  -0.406137D-01  0.189931D+01  0.778008D+00  0.153950D+01  0.281935D+01
      3   0.170960D+01  0.778008D+00  0.471871D+01 -0.329437D+00 -0.510317D+00
               111           112           113           114           115 
      1  -0.329437D+00  0.212579D+01  0.217724D+01 -0.531569D+00 -0.102893D+01
      2  -0.510317D+00  0.217724D+01  0.575873D+01 -0.124036D+01 -0.818586D+00
      3   0.631904D+00 -0.531569D+00 -0.124036D+01  0.124038D+01  0.686582D+00
               116           117           118           119           120 
      1  -0.818586D+00  0.686582D+00 -0.501738D+01 -0.205214D+01  0.168436D+01
      2  -0.257570D+01  0.142136D+01 -0.205214D+01 -0.167960D+01  0.128644D+01
      3   0.142136D+01 -0.112773D+01  0.168436D+01  0.128644D+01 -0.262125D+01
               121           122           123           124           125 
      1  -0.205191D+01 -0.117526D+01  0.840159D+00  0.111583D+01  0.818644D+00
      2  -0.117526D+01 -0.217337D+01  0.153946D+01  0.818644D+00  0.111059D+01
      3   0.840159D+00  0.153946D+01 -0.109692D+01 -0.165942D+01 -0.795605D+00
               126           127           128           129           130 
      1  -0.165942D+01  0.472695D+01 -0.330640D+01  0.178888D+01 -0.314830D+01
      2  -0.795605D+00 -0.330640D+01  0.310988D+01 -0.111088D+01  0.287755D+01
      3   0.161804D+01  0.178888D+01 -0.111088D+01  0.171647D+01 -0.900319D+00
               131           132           133           134           135 
      1   0.287755D+01 -0.900319D+00  0.895522D+00 -0.566955D+00  0.115585D+01
      2  -0.422593D+01  0.178951D+01 -0.566955D+00  0.103269D+01 -0.860083D+00
      3   0.178951D+01 -0.124768D+01  0.115585D+01 -0.860083D+00  0.802299D+00
               136           137           138           139           140 
      1   0.811287D+00  0.266895D+00  0.126400D+01  0.857349D+00  0.562183D+00
      2   0.266895D+00  0.797567D+00  0.440135D+00  0.562183D+00  0.341377D+01
      3   0.126400D+01  0.440135D+00  0.968025D+00  0.729657D+00  0.197246D+01
               141           142           143           144           145 
      1   0.729657D+00  0.113942D+01  0.333837D+00  0.753634D+00  0.226117D+00
      2   0.197246D+01  0.333837D+00  0.191713D+01  0.195743D+01 -0.643244D-01
      3   0.337452D+01  0.753634D+00  0.195743D+01  0.409389D+01 -0.998443D+00
               146           147           148           149           150 
      1  -0.643244D-01 -0.998443D+00 -0.814506D-01  0.639695D+00 -0.242261D+00
      2   0.121822D+00  0.754462D-01  0.639695D+00  0.110160D+01 -0.128538D+01
      3   0.754462D-01  0.798314D-01 -0.242261D+00 -0.128538D+01  0.167816D+01
               151           152           153           154           155 
      1  -0.195015D+01 -0.305492D+00  0.168090D+01  0.140128D+01  0.108208D+01
      2  -0.305492D+00 -0.138759D+01  0.193028D+01  0.108208D+01  0.141361D+01
      3   0.168090D+01  0.193028D+01 -0.902606D+01  0.822099D+00  0.416630D+00
               156           157           158           159           160 
      1   0.822099D+00  0.216619D+01  0.204094D+01  0.297428D+00  0.187906D+01
      2   0.416630D+00  0.204094D+01  0.525805D+01  0.148565D+01  0.759216D+00
      3   0.322688D+00  0.297428D+00  0.148565D+01  0.177942D+01  0.592182D+00
               161           162           163           164           165 
      1   0.759216D+00  0.592182D+00  0.775425D+01 -0.295851D+01 -0.172367D-01
      2   0.215821D+01  0.162241D+01 -0.295851D+01  0.217220D+01  0.595071D-01
      3   0.162241D+01  0.107554D+01 -0.172367D-01  0.595071D-01  0.946758D+00
               166           167           168           169           170 
      1  -0.454379D+01  0.270170D+01  0.300668D+00  0.106445D+01 -0.954141D-01
      2   0.270170D+01 -0.246152D+01  0.291404D+00 -0.954141D-01  0.488359D+00
      3   0.300668D+00  0.291404D+00 -0.705766D+00  0.113757D+01 -0.329148D+00
               171 
      1   0.113757D+01
      2  -0.329148D+00
      3  -0.428491D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.300695D+01  0.240461D+01  0.981860D+00  0.300472D+01  0.237341D+01
      2  -0.736789D+01  0.660792D+00  0.118994D+01  0.154546D+01 -0.860186D+01
      3  -0.120845D+02  0.606778D+01  0.298575D+01  0.131755D+02  0.724732D+01
                 6             7             8             9            10 
      1   0.276803D+00  0.183712D+01  0.455620D+01  0.142030D+00  0.324183D+01
      2  -0.862637D+01 -0.702159D+01 -0.926757D+01  0.176217D+02  0.678692D+01
      3   0.536003D+01  0.109500D+01  0.654472D+01  0.809365D+01  0.474296D+01
                11            12            13            14            15 
      1  -0.596465D+00 -0.116124D+00 -0.438350D+00  0.307285D+01 -0.286575D+01
      2  -0.107880D+01  0.411242D+01 -0.180330D+01  0.415205D+01  0.363550D+01
      3  -0.329327D+01 -0.155698D+01  0.396190D+01 -0.598973D+01 -0.509737D+01
                16            17            18            19            20 
      1  -0.130969D+00  0.404524D+01 -0.285636D+01 -0.354723D+01  0.785686D+00
      2  -0.389562D+01  0.410642D+01 -0.357582D+01 -0.113854D+01  0.146140D+01
      3  -0.209689D+01 -0.428137D+01 -0.420140D+01  0.135016D+01 -0.456910D+01
                21            22            23            24            25 
      1  -0.113664D+01  0.350315D+00  0.651775D+00  0.701692D+00 -0.178555D+01
      2   0.173375D+01  0.503172D+01 -0.210604D+01  0.257272D+01 -0.335457D+01
      3   0.712198D+00  0.211832D+01 -0.295857D+01  0.149388D+01 -0.861732D+00
                26            27            28            29            30 
      1   0.546512D+01  0.562139D+00  0.138402D+01  0.770188D+00  0.671760D+00
      2   0.124774D+01 -0.268317D+01 -0.562581D+01  0.389393D+00 -0.473576D+01
      3   0.111188D+01  0.430478D+00 -0.715969D+01 -0.189145D+00 -0.143566D+01
                31            32            33            34            35 
      1   0.274163D+01 -0.536697D+01  0.675787D+01  0.156988D+01  0.632142D+01
      2   0.540151D+01  0.346098D-01 -0.313203D+01 -0.171314D+02 -0.343884D+01
      3   0.275179D+00  0.118272D+02 -0.266281D+00 -0.355593D+01 -0.432738D+00
                36            37            38            39            40 
      1   0.505763D+01 -0.159508D+01 -0.242224D+01  0.206604D+01 -0.187026D+01
      2   0.299655D+01  0.699508D+00  0.240883D+01  0.841936D+01  0.181529D+01
      3   0.966824D+00 -0.409891D+01 -0.144438D+02 -0.123369D+01 -0.111888D+02
                41            42            43            44            45 
      1  -0.151779D+01 -0.363389D+01 -0.477118D-01  0.234370D+01 -0.136938D+01
      2   0.146429D+01  0.101965D+01  0.622454D+01  0.303005D+00 -0.515488D+01
      3  -0.967044D+01 -0.663508D+00 -0.157727D+00  0.260389D+00  0.124761D+01
                46            47            48            49            50 
      1   0.478907D+01 -0.471203D+01 -0.732898D+00 -0.438318D+01 -0.317367D+01
      2  -0.518851D+01 -0.976277D+01  0.962238D+01 -0.817632D+01 -0.105518D+01
      3  -0.775045D+01 -0.445105D+01  0.498206D+01 -0.334850D+00  0.315894D+01
                51            52            53            54            55 
      1  -0.125181D+02 -0.112835D+01 -0.663382D+01 -0.192981D+01  0.686898D+00
      2  -0.266271D+01  0.245061D+01 -0.283505D+01  0.175562D+01  0.478069D+00
      3   0.539777D+01  0.384814D+01  0.487494D+01  0.377877D+01 -0.273834D+01
                56            57            58            59            60 
      1  -0.315458D+01  0.605030D+01 -0.320028D+01 -0.675518D+01 -0.465702D+01
      2   0.166848D+01  0.609920D+01 -0.532548D+00  0.465324D+00 -0.139977D+01
      3  -0.995991D+01 -0.172592D+01  0.207997D+01 -0.316012D+01  0.184423D+01
                61            62            63            64            65 
      1   0.651084D+01  0.415547D+01  0.459884D+01  0.439457D+00  0.128809D+01
      2  -0.207896D+01 -0.986684D+00  0.206158D+01  0.115302D+01  0.215339D+00
      3   0.325066D+00  0.352095D+01 -0.568079D+01 -0.116263D+01 -0.441000D+01
                66            67            68            69            70 
      1  -0.237267D+01  0.576136D-02  0.490627D+01 -0.101274D+02 -0.464739D+00
      2   0.488198D+01 -0.560800D+01  0.173688D+01  0.556197D+01  0.804408D+00
      3  -0.503113D+00  0.900297D+01 -0.198597D+02 -0.220517D+01  0.139027D+01
                71            72            73            74            75 
      1   0.208329D+01 -0.202622D+01  0.717575D+00 -0.337747D+00  0.165509D+00
      2   0.591345D+01  0.295561D+01  0.119862D+01 -0.162957D-01 -0.156987D+00
      3  -0.233619D+01 -0.559873D+01  0.563531D+00 -0.328165D+00 -0.625365D+00
                76            77            78            79            80 
      1  -0.253592D+00 -0.161217D+01 -0.514263D+00  0.212775D+00  0.256934D+01
      2  -0.201617D+00  0.432303D+00 -0.373010D+00 -0.353126D+01 -0.363553D-01
      3   0.138446D+01  0.436413D+00 -0.267652D+00 -0.979428D+00 -0.539446D+00
                81            82            83            84            85 
      1   0.216007D+01 -0.894304D+00  0.119164D+00 -0.145767D+00 -0.115627D+00
      2   0.925158D+00 -0.252382D+01 -0.271797D+00 -0.122784D+00 -0.155531D+01
      3   0.184774D+00  0.218758D+01  0.620319D+00  0.119413D+01  0.435127D+01
                86            87            88            89            90 
      1   0.979302D+00 -0.303573D+01  0.398299D-02  0.553981D+00 -0.105010D+01
      2  -0.271676D+01 -0.294456D+01 -0.269257D+01 -0.263423D+01 -0.241662D+01
      3   0.766997D+01  0.338892D+01  0.238477D+01  0.321965D+01  0.318278D+01
                91            92            93            94            95 
      1   0.146872D+01  0.155978D+01  0.129760D+01  0.183668D+01  0.201380D+01
      2  -0.241473D+01 -0.204105D+01 -0.159003D+01 -0.231347D+01 -0.379474D+01
      3   0.633458D+01  0.838658D+01  0.619296D+00  0.118608D+02  0.153985D+02
                96            97            98            99           100 
      1  -0.412219D+00  0.120433D+01  0.159423D+01 -0.208890D+00 -0.297007D+01
      2  -0.340196D+01 -0.214625D+01 -0.209997D+01 -0.101361D+01 -0.182465D+01
      3   0.253989D+01  0.114454D+01  0.208338D+01  0.169408D+00  0.225953D+01
               101           102           103           104           105 
      1   0.104066D+01 -0.501073D+01  0.103151D+01 -0.216553D+01  0.343293D+00
      2   0.549621D-01 -0.935708D+00  0.319911D+00 -0.101048D+01  0.645104D+00
      3  -0.187874D+00  0.261925D+01  0.513770D+00  0.125155D+01 -0.285814D-02
               106           107           108           109           110 
      1  -0.539916D+01  0.129849D+01 -0.108392D+02  0.121006D+01  0.227099D+01
      2  -0.356743D+01  0.439789D+00 -0.205978D+01  0.283521D+00 -0.293795D+00
      3   0.515932D+01 -0.446568D+00  0.475854D+01  0.402505D+01  0.298095D+01
               111           112           113           114           115 
      1  -0.254809D+01  0.253798D+01  0.452975D+01 -0.394624D+01 -0.235760D+01
      2   0.138728D+00 -0.287901D+00 -0.383619D+00  0.471064D+00 -0.971780D+00
      3  -0.105279D+01  0.691454D+01  0.556259D+01 -0.179382D+01 -0.349945D+01
               116           117           118           119           120 
      1  -0.299042D+01  0.287224D+01 -0.189171D+01 -0.218570D+01 -0.172689D+01
      2   0.185079D+00 -0.232413D+00  0.122613D+02  0.464471D+01 -0.341917D+01
      3  -0.250852D+01  0.202814D+01  0.102103D+02  0.287813D+01 -0.288074D+01
               121           122           123           124           125 
      1  -0.130115D+01 -0.167609D+01  0.187731D+00 -0.818888D+00  0.216093D+01
      2   0.473962D+01  0.354779D+01 -0.198422D+01 -0.496966D+01 -0.228240D+01
      3   0.540673D+01  0.332352D+01 -0.273068D+01 -0.209602D+01 -0.166855D+01
               126           127           128           129           130 
      1   0.513506D+00 -0.311471D+01  0.419870D+01  0.147436D+01  0.342010D+01
      2   0.398915D+01 -0.491306D+01  0.328477D+01  0.200987D+01  0.422505D+01
      3   0.309795D+01 -0.131247D+01 -0.253224D+01 -0.126459D+00  0.140126D+01
               131           132           133           134           135 
      1  -0.425378D+01 -0.462004D+00  0.241456D+00  0.172395D+01 -0.322334D+00
      2  -0.172770D+01 -0.134083D+01 -0.116718D+01 -0.171021D-01 -0.301261D+00
      3   0.349891D+01 -0.165598D+01 -0.625325D+00 -0.111736D+01 -0.125112D+00
               136           137           138           139           140 
      1   0.180710D+01  0.189470D+01  0.140545D+01  0.112302D+01  0.109050D+02
      2   0.482993D+00  0.773738D-01  0.331475D+00 -0.160131D+01  0.238261D+01
      3  -0.633822D+00 -0.205233D+01 -0.167120D+01  0.555742D+00 -0.677560D+01
               141           142           143           144           145 
      1   0.503783D+01  0.134460D+01  0.783942D+01  0.668779D+01  0.176519D+00
      2   0.395865D+01 -0.232816D+01  0.208331D+01  0.446053D+01 -0.280968D+01
      3  -0.326842D+01 -0.781166D+00 -0.327277D+01 -0.343298D+01  0.243612D+00
               146           147           148           149           150 
      1   0.116842D-01 -0.100829D+00 -0.343065D+00 -0.138051D+01 -0.347855D+00
      2  -0.661081D-01  0.282245D+00 -0.171895D-01 -0.243707D+01  0.457924D+01
      3  -0.988132D+00 -0.255374D+00 -0.457471D+00 -0.302258D+01  0.307647D+01
               151           152           153           154           155 
      1  -0.111873D+00  0.342887D+01  0.817952D+00 -0.110566D+01 -0.124229D+01
      2  -0.833998D+00  0.492837D+01 -0.224572D+02  0.345452D+01  0.190297D+01
      3  -0.293181D+00  0.388703D+01 -0.504464D+01 -0.324385D+01 -0.424651D+01
               156           157           158           159           160 
      1  -0.948003D+00 -0.139266D+01 -0.414882D+01 -0.408342D+01 -0.791623D+00
      2   0.225309D+01  0.163558D+01  0.649259D+01  0.625771D+01  0.103743D+01
      3  -0.803973D+00 -0.225594D+01 -0.160867D+02 -0.492642D+01 -0.507355D+00
               161           162           163           164           165 
      1  -0.103606D+01 -0.231124D+01  0.220448D+01 -0.169321D+01  0.725777D+00
      2   0.528666D+01  0.408818D+01  0.608783D+01 -0.251584D+01  0.483299D+01
      3  -0.707237D+01 -0.468228D+01  0.834836D+01 -0.900593D+01  0.374294D-01
               166           167           168           169           170 
      1  -0.183318D+01  0.189570D+01 -0.164828D+01  0.304028D-01  0.244381D+00
      2  -0.261717D+01  0.312500D+01 -0.283614D+01  0.279820D+01 -0.815049D+00
      3  -0.639006D+01  0.806801D+01 -0.114568D+01  0.107082D+00 -0.182707D+01
               171 
      1   0.222499D+00
      2  -0.367137D-01
      3   0.827000D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.109892D+02  0.233145D+02 -0.109342D+02  0.280532D+02 -0.157854D+02
      2   0.277067D+01 -0.130803D+02  0.500571D+01 -0.155486D+02  0.216423D+01
      3   0.821856D+01 -0.102342D+02  0.592847D+01 -0.125046D+02  0.136212D+02
      4   0.248865D+02 -0.144046D+02 -0.484963D+01 -0.196068D+02 -0.109979D+02
      5  -0.966786D+01 -0.796776D+01  0.372888D+01 -0.945645D+01 -0.957107D+01
      6  -0.453369D+01  0.207996D+01  0.254072D+00  0.174709D+01 -0.859462D+00
                 6             7             8             9            10 
      1  -0.818048D+01 -0.141600D+02 -0.570445D+01  0.114033D+02 -0.544332D+01
      2  -0.280526D+01  0.387675D+01 -0.465791D+01  0.716579D+01  0.132029D+01
      3   0.109857D+02  0.102833D+02  0.103624D+02 -0.185691D+02  0.412303D+01
      4  -0.111648D+02 -0.392741D+01 -0.127551D+02 -0.123584D+02 -0.109119D+02
      5  -0.126882D+02  0.233820D+00 -0.131716D+02  0.264200D+02  0.985552D+01
      6  -0.426461D+00 -0.106053D+01 -0.561211D+00  0.566283D+01 -0.439459D+01
                11            12            13            14            15 
      1  -0.965142D+01  0.928016D+01 -0.131811D+02  0.100683D+02  0.652411D+01
      2   0.449521D+01 -0.636771D+01  0.717083D+01 -0.843852D+01 -0.904560D+01
      3   0.515621D+01 -0.291246D+01  0.601024D+01 -0.162980D+01  0.252149D+01
      4   0.464072D+01  0.171584D+01  0.903611D+01  0.544337D+01  0.530677D+01
      5   0.356708D+01 -0.132576D+01  0.609280D+01  0.575543D+01  0.702216D+01
      6   0.764253D+00 -0.923178D+00  0.441188D+00 -0.965623D+01 -0.402760D+01
                16            17            18            19            20 
      1   0.122740D+02  0.501746D+01  0.444187D+01 -0.840655D+01 -0.343429D+00
      2  -0.624081D+01 -0.405043D+01 -0.465674D+01  0.951229D+01  0.849325D-02
      3  -0.603321D+01 -0.967029D+00  0.214866D+00 -0.110574D+01  0.334936D+00
      4   0.376281D+01  0.519305D+01  0.800251D+01 -0.886699D+00  0.290957D+01
      5  -0.926833D+00  0.812646D+01 -0.940182D+01 -0.177065D+01 -0.468656D+00
      6   0.270090D+00 -0.570101D+01  0.953507D+00  0.295108D+01 -0.250857D+01
                21            22            23            24            25 
      1   0.480319D-01  0.508065D+01  0.233028D+01 -0.154268D+01 -0.386037D+01
      2   0.162447D+01 -0.199082D+01 -0.499687D+01 -0.294705D+01  0.275232D+01
      3  -0.167250D+01 -0.308983D+01  0.266659D+01  0.448973D+01  0.110805D+01
      4   0.888037D+00 -0.676310D+01  0.480816D+01  0.513020D+00 -0.378570D+01
      5   0.644289D+00 -0.261530D+01  0.330599D+00  0.271060D+01 -0.971238D+00
      6   0.920272D+00 -0.932014D+00  0.869121D+00 -0.474623D+01 -0.148939D+00
                26            27            28            29            30 
      1  -0.137345D+01  0.983963D+01 -0.596887D+01  0.993079D+01  0.150924D+01
      2  -0.812907D+01  0.799279D+01  0.431224D+00 -0.756285D+01 -0.543697D+01
      3   0.950252D+01 -0.178324D+02  0.553765D+01 -0.236794D+01  0.392773D+01
      4   0.513706D+00  0.599441D+00  0.460481D+01 -0.784396D+01 -0.264438D+01
      5  -0.886334D+00  0.560509D+00  0.312093D+01 -0.299657D+01 -0.704349D+01
      6  -0.314549D+01  0.922150D+01 -0.129964D+01 -0.183951D+01 -0.136712D+01
                31            32            33            34            35 
      1   0.103123D+01  0.936126D+01  0.356980D+01  0.296744D+01 -0.158063D+00
      2  -0.301318D+01 -0.182058D+02  0.382953D+01 -0.415812D+01 -0.328277D+01
      3   0.198195D+01  0.884453D+01 -0.739932D+01  0.119068D+01  0.344083D+01
      4  -0.161971D+02 -0.225509D+02 -0.580727D+01 -0.864176D+01 -0.299462D+01
      5  -0.843743D+01 -0.745192D+01 -0.547919D+01 -0.246228D+00 -0.384057D+01
      6  -0.278591D+01 -0.825885D+01 -0.107738D+02 -0.302205D+01  0.125195D+01
                36            37            38            39            40 
      1  -0.326414D+01  0.487652D+02 -0.660353D+01 -0.493267D+01  0.708802D+01
      2  -0.322912D+01 -0.288626D+02  0.719325D+00  0.606496D+01 -0.775558D+01
      3   0.649326D+01 -0.199025D+02  0.588420D+01 -0.113229D+01  0.667562D+00
      4  -0.490904D+01 -0.160809D+02  0.160394D+02  0.227852D+01  0.152217D+02
      5   0.344489D+01 -0.891221D+01  0.158359D+01  0.156977D+02 -0.175033D+00
      6  -0.716830D+01 -0.593814D+00 -0.485174D+00 -0.280059D+01 -0.150676D+01
                41            42            43            44            45 
      1   0.105216D+02 -0.616488D+00 -0.303587D+01  0.206908D+01  0.544502D+01
      2  -0.362197D+01 -0.107045D+01  0.285472D+01 -0.123770D+01 -0.972826D+01
      3  -0.689967D+01  0.168694D+01  0.181153D+00 -0.831373D+00  0.428324D+01
      4  -0.107028D+01 -0.446572D+00  0.344552D+01 -0.621825D+00 -0.343393D+01
      5  -0.490961D+00 -0.585471D+00  0.149700D+02 -0.407685D+01 -0.113883D+02
      6  -0.987543D+00  0.630158D+01 -0.114425D+01  0.473024D+01  0.159053D+01
                46            47            48            49            50 
      1   0.773542D+01  0.139496D+02 -0.890995D+01  0.133183D+02 -0.282171D+01
      2  -0.874740D+01 -0.598172D+00  0.530923D+01  0.613655D-01  0.586938D+01
      3   0.101199D+01 -0.133515D+02  0.360072D+01 -0.133796D+02 -0.304767D+01
      4   0.118079D+02 -0.175007D+02  0.603342D+01 -0.178927D+02  0.411358D+01
      5  -0.598406D+01  0.100177D+02 -0.643153D+01  0.871072D+01 -0.130976D+02
      6   0.166622D+02 -0.533107D+01 -0.311445D+01 -0.578552D+01  0.222821D+01
                51            52            53            54            55 
      1   0.313044D+01 -0.821172D+01  0.206655D+01 -0.601168D+01  0.146158D+02
      2   0.119644D+02  0.451711D+01  0.948332D+01  0.230998D+01 -0.107288D+02
      3  -0.150949D+02  0.369461D+01 -0.115499D+02  0.370170D+01 -0.388700D+01
      4  -0.829389D+01  0.360301D+01 -0.578711D+01 -0.887651D+01 -0.217613D+01
      5  -0.993642D+01 -0.691322D+01 -0.103700D+02  0.555010D+01 -0.111895D+01
      6  -0.787978D+01 -0.340091D+01 -0.521570D+01 -0.108418D+02 -0.665364D+00
                56            57            58            59            60 
      1   0.729799D+01  0.138193D+00  0.493228D+01 -0.964059D+01 -0.631890D+01
      2  -0.138383D+02  0.366203D+01 -0.115789D+02  0.130622D+02  0.945305D+01
      3   0.654034D+01 -0.380023D+01  0.664658D+01 -0.342165D+01 -0.313416D+01
      4  -0.175468D+01 -0.119726D+01  0.341144D+01 -0.125198D+02  0.354679D+00
      5   0.129501D+00  0.275401D+01  0.846476D+00 -0.665015D+00 -0.226566D+01
      6   0.190373D+01 -0.813737D+01  0.157800D+01  0.119057D+02  0.570457D+01
                61            62            63            64            65 
      1  -0.199392D+01 -0.674016D+01  0.296229D+00  0.106619D+02  0.557089D+01
      2   0.626833D+01  0.129090D+02  0.822410D+00 -0.251491D+01  0.126608D+01
      3  -0.427441D+01 -0.616881D+01 -0.111864D+01 -0.814700D+01 -0.683698D+01
      4   0.334827D+00  0.142645D+01 -0.797227D+01  0.158393D+02  0.189659D+02
      5   0.329622D+01 -0.182611D+01 -0.375095D+01  0.678566D+01  0.554990D+01
      6  -0.871864D+01  0.256802D+01 -0.412473D+01  0.327066D+01  0.300830D+01
                66            67            68            69            70 
      1   0.129501D+01  0.898337D+01 -0.218115D+02 -0.611119D+01  0.267287D+01
      2  -0.971698D+00  0.652217D+00  0.394646D+02  0.188247D+01 -0.106958D+01
      3  -0.323315D+00 -0.963559D+01 -0.176530D+02  0.422872D+01 -0.160328D+01
      4   0.455416D+01  0.224092D+02  0.441359D+02  0.950445D+01  0.469109D+01
      5   0.952579D+01  0.617306D+01  0.113001D+02  0.114355D+02  0.100614D+02
      6   0.430683D+01  0.520089D+01  0.129248D+02  0.169462D+02  0.487093D+01
                71            72            73            74            75 
      1  -0.499793D+01 -0.629956D+01  0.817558D+00  0.642569D+00 -0.381249D+00
      2   0.261627D+01  0.364282D+00 -0.384871D+01 -0.466166D+00 -0.381241D+00
      3   0.238166D+01  0.593528D+01  0.303115D+01 -0.176403D+00  0.762490D+00
      4   0.666317D+01  0.122377D+02 -0.202420D+00  0.154369D+01 -0.185558D+01
      5   0.124840D+02  0.103963D+02  0.196941D+00 -0.131750D+01  0.535888D+01
      6   0.141423D+02  0.951318D+01 -0.223567D+01  0.750530D+00 -0.165228D+00
                76            77            78            79            80 
      1   0.109886D+00 -0.527657D+01  0.365393D+01  0.530408D+00  0.533263D+01
      2   0.269613D+00  0.168179D+01 -0.624510D+00  0.170304D+00  0.471145D+00
      3  -0.379499D+00  0.359478D+01 -0.302942D+01 -0.700711D+00 -0.580377D+01
      4   0.256476D+01 -0.104046D+01  0.449050D+00 -0.505702D+00  0.798449D+00
      5  -0.530606D+00 -0.168061D-01 -0.491928D+00  0.529528D+01  0.100798D+00
      6   0.825643D+00 -0.437926D+01  0.838484D+01  0.297223D+00  0.756651D+01
                81            82            83            84            85 
      1  -0.182471D+02 -0.679319D+00 -0.120829D+01 -0.288909D+01 -0.291660D+01
      2  -0.131192D+02  0.239323D+01  0.985598D+00  0.199002D+01  0.234663D+01
      3   0.313662D+02 -0.171391D+01  0.222691D+00  0.899077D+00  0.569966D+00
      4  -0.461776D+00 -0.355976D+00  0.306017D+01  0.148569D+01  0.234755D+01
      5   0.125914D+01 -0.214235D+01  0.133433D+01  0.195669D+01  0.106601D+01
      6  -0.134130D+02  0.308414D+01  0.577330D+00  0.630373D+00  0.760936D+00
                86            87            88            89            90 
      1  -0.135061D+02 -0.529370D+01 -0.423477D+01 -0.607832D+01 -0.730941D+01
      2   0.179783D+02  0.664198D+01  0.236638D+01  0.437207D+01  0.249638D+01
      3  -0.447226D+01 -0.134828D+01  0.186840D+01  0.170626D+01  0.481302D+01
      4  -0.111878D+02 -0.448132D+01  0.286851D+00 -0.458987D+01 -0.435511D+01
      5  -0.440742D+01 -0.585249D+01  0.255248D+01 -0.465648D+01 -0.400100D+01
      6   0.122560D+02  0.987285D+01  0.994146D+00  0.103442D+02  0.936475D+01
                91            92            93            94            95 
      1  -0.112745D+02 -0.365121D+01  0.210743D+00 -0.159576D+02 -0.555167D+01
      2   0.101670D+02  0.807955D+00 -0.108787D+00  0.926601D+01  0.796341D+01
      3   0.110747D+01  0.284326D+01 -0.101957D+00  0.669159D+01 -0.241174D+01
      4  -0.354642D+01  0.316145D+00 -0.126044D+00  0.664138D+01 -0.149426D+02
      5   0.909494D+00  0.458890D+00 -0.141185D+01  0.277454D+01 -0.288037D+01
      6   0.754142D+00 -0.405911D+00 -0.190621D+01 -0.814651D+00  0.273821D+01
                96            97            98            99           100 
      1  -0.938255D-01 -0.150260D+01 -0.127736D+01 -0.649195D+00 -0.781377D+00
      2   0.559146D+00  0.126439D+01  0.116929D+01 -0.309941D+00 -0.226174D+00
      3  -0.465321D+00  0.238217D+00  0.108073D+00  0.959137D+00  0.100755D+01
      4  -0.388109D+01  0.994120D+00 -0.305644D+01 -0.301741D+01  0.185841D+01
      5  -0.513710D+01  0.326388D+01 -0.249859D+01 -0.257254D+01  0.213463D+01
      6   0.179995D+01 -0.177655D+01  0.261729D+01  0.166844D+01  0.331531D+01
               101           102           103           104           105 
      1  -0.248063D+01 -0.172523D+01 -0.284184D+00 -0.174155D+01 -0.137312D+01
      2   0.383029D+01 -0.590906D+00  0.138576D+01  0.142080D+01  0.197392D+01
      3  -0.134966D+01  0.231613D+01 -0.110157D+01  0.320751D+00 -0.600804D+00
      4   0.328328D+01  0.301599D+01  0.272298D+01  0.156160D+01  0.161537D+01
      5   0.817148D+00  0.334752D+01  0.441648D+00  0.169275D+01  0.745199D+00
      6   0.278122D+01  0.620964D+01  0.187613D+01  0.162739D+01  0.328986D+01
               106           107           108           109           110 
      1  -0.131116D+01 -0.421439D+01 -0.742476D+01 -0.154016D+01 -0.690993D+01
      2  -0.221860D+01  0.489868D+01 -0.409117D+01  0.564810D+01  0.141463D+02
      3   0.352977D+01 -0.684293D+00  0.115159D+02 -0.410794D+01 -0.723635D+01
      4   0.549223D+01  0.201529D+01  0.481309D+01  0.492115D+01  0.887637D+01
      5   0.359177D+01  0.681660D+00  0.455976D+01 -0.146212D+01 -0.916237D+00
      6   0.539054D+01  0.558572D+01  0.153304D+02 -0.233559D+01 -0.343783D+01
               111           112           113           114           115 
      1   0.455550D+00 -0.519400D+01 -0.158402D+02  0.357645D+01  0.204237D+01
      2  -0.239726D+01  0.104094D+02  0.300473D+02 -0.683007D+01 -0.375690D+01
      3   0.194171D+01 -0.521538D+01 -0.142072D+02  0.325361D+01  0.171452D+01
      4  -0.173894D+01  0.861537D+01  0.102514D+02 -0.290184D+01 -0.302479D+01
      5   0.179694D+01  0.119810D+00 -0.125238D+01  0.759923D+00  0.169541D+01
      6   0.323891D+01 -0.328824D+01 -0.829877D+01  0.613552D+01  0.375678D+01
               116           117           118           119           120 
      1   0.722318D+01 -0.469841D+01 -0.973964D+01 -0.920894D+01  0.105314D+02
      2  -0.118007D+02  0.552432D+01  0.560030D+01  0.613770D+01 -0.896972D+00
      3   0.457747D+01 -0.825912D+00  0.413934D+01  0.307124D+01 -0.963439D+01
      4  -0.398044D+01  0.323778D+01  0.766821D+01  0.449835D+01 -0.235877D+01
      5   0.140052D+01 -0.928188D+00 -0.990214D+01 -0.416417D+01  0.337001D+01
      6   0.923688D+01 -0.615470D+01 -0.794056D+01 -0.767211D+01  0.858101D+01
               121           122           123           124           125 
      1  -0.798765D+01 -0.901604D+01  0.625150D+01  0.738335D+01  0.531848D+01
      2   0.553944D+01  0.805264D+01 -0.370720D+01 -0.453181D+00 -0.248629D+01
      3   0.244821D+01  0.963399D+00 -0.254430D+01 -0.693017D+01 -0.283219D+01
      4   0.544566D+01  0.849157D+00  0.191012D+00 -0.177355D+01 -0.580186D+00
      5  -0.465457D+01 -0.560317D+00  0.155910D+01  0.504819D+01  0.226254D+01
      6  -0.529529D+01 -0.893906D+01  0.814497D+01  0.634750D+01  0.701385D+01
               126           127           128           129           130 
      1  -0.849917D+01  0.167262D+02 -0.726866D+01  0.213333D+01 -0.686916D+01
      2  -0.416866D+00 -0.404239D+01 -0.276176D+01 -0.312554D+01 -0.329531D+01
      3   0.891603D+01 -0.126838D+02  0.100304D+02  0.992209D+00  0.101645D+02
      4   0.312941D+01 -0.228858D+02  0.200914D+02 -0.778681D+01  0.194183D+02
      5  -0.316347D+01  0.170730D+02 -0.116908D+02  0.117997D+02 -0.107882D+02
      6  -0.616956D+01 -0.109185D+02  0.103958D+02 -0.696509D+01  0.908205D+01
               131           132           133           134           135 
      1  -0.736674D+00  0.156647D+01  0.451082D+00  0.101421D+01  0.662497D+00
      2   0.109625D+02 -0.186177D+01 -0.232724D+01  0.900404D-01 -0.151018D+01
      3  -0.102258D+02  0.295296D+00  0.187616D+01 -0.110425D+01  0.847681D+00
      4  -0.221567D+02  0.783111D+01 -0.391253D+01  0.438133D+01 -0.588482D+01
      5   0.115358D+02 -0.680525D+01  0.890930D+01 -0.554020D+01  0.606994D+01
      6  -0.138101D+02  0.969661D+01 -0.530442D+01  0.764624D+01 -0.466083D+01
               136           137           138           139           140 
      1   0.145951D+01  0.104061D+01  0.263006D+01  0.237546D+01 -0.216116D+01
      2  -0.340429D+01 -0.285576D+01 -0.468466D+01 -0.425754D+01 -0.408256D+01
      3   0.194477D+01  0.181515D+01  0.205460D+01  0.188208D+01  0.624372D+01
      4   0.126111D+01  0.508713D+01  0.737669D+00  0.449554D+01  0.826621D+01
      5   0.623017D+01  0.278468D+01  0.834600D+01  0.549910D+01  0.795561D+01
      6   0.545285D+00  0.293134D+01  0.146128D+01  0.230636D+01  0.117157D+02
               141           142           143           144           145 
      1  -0.508560D+01  0.201431D+01 -0.318021D+01 -0.769683D+01  0.124051D+01
      2  -0.965850D+01 -0.435293D+01 -0.674175D+01 -0.134562D+02 -0.340955D+01
      3   0.147441D+02  0.233862D+01  0.992196D+01  0.211530D+02  0.216904D+01
      4   0.571663D+01  0.519766D+00  0.488492D+01  0.532536D+01 -0.599703D+00
      5   0.115967D+02  0.751265D+01  0.664786D+01  0.136073D+02 -0.491878D+01
      6   0.768075D+01  0.142476D+01  0.845646D+01  0.682026D+01 -0.860285D+00
               146           147           148           149           150 
      1  -0.505289D+00 -0.617719D+01 -0.971414D+00 -0.878010D+00  0.288963D+01
      2   0.248634D+00  0.324226D+01  0.685571D-01 -0.735839D+00  0.155636D+01
      3   0.256655D+00  0.293493D+01  0.902857D+00  0.161385D+01 -0.444600D+01
      4   0.243309D+01 -0.113841D+01  0.510072D+01  0.536548D+01 -0.596923D+01
      5  -0.876532D+00  0.677568D+01 -0.197652D+01 -0.572534D+01  0.863829D+01
      6  -0.871382D-01  0.359864D+00 -0.144112D+01 -0.361983D+01  0.798382D+01
               151           152           153           154           155 
      1  -0.801862D+01  0.293558D+01 -0.133599D+02  0.100716D+02  0.542472D+01
      2   0.814863D+01  0.173515D+01 -0.188318D+02 -0.180529D+01 -0.130824D+00
      3  -0.130013D+00 -0.467073D+01  0.321917D+02 -0.826633D+01 -0.529390D+01
      4  -0.284525D+01 -0.657864D+01  0.826875D+01  0.709909D+01  0.123173D+02
      5   0.144485D+02  0.900737D+01 -0.431708D+02  0.391623D+01  0.298888D+01
      6   0.111956D+01  0.752418D+01 -0.813604D+01  0.118934D+01 -0.454392D+00
               156           157           158           159           160 
      1   0.450313D+01  0.101876D+02  0.542321D+01  0.145253D+01  0.101134D+02
      2  -0.141786D+01 -0.195652D+01  0.979577D+01  0.350115D+01 -0.414957D+01
      3  -0.308527D+01 -0.823110D+01 -0.152190D+02 -0.495368D+01 -0.596387D+01
      4   0.395822D+01  0.165423D+02  0.296652D+02  0.827718D+01  0.645229D+01
      5   0.292338D+01  0.206406D+01  0.799150D+01  0.101893D+02  0.427784D+01
      6   0.498884D+00 -0.318802D+00  0.563291D+00  0.351916D+01  0.139099D+01
               161           162           163           164           165 
      1   0.265379D+01  0.491009D-01  0.557271D+02 -0.195478D+02  0.760208D+00
      2   0.305611D+01  0.131401D-01 -0.267519D+02  0.875229D+01  0.708190D+00
      3  -0.570990D+01 -0.622410D-01 -0.289752D+02  0.107955D+02 -0.146840D+01
      4   0.119716D+02  0.864132D+01 -0.224561D+02  0.168826D+02  0.476536D+00
      5   0.901311D+01  0.670189D+01 -0.618437D+01  0.261479D+01  0.807072D+01
      6   0.334566D+01  0.236609D+01  0.400560D+01 -0.297080D+01 -0.108189D+01
               166           167           168           169           170 
      1  -0.276947D+02  0.141017D+02  0.103562D+01  0.710705D+01 -0.872091D+00
      2   0.120192D+02 -0.245994D+01 -0.880661D+00 -0.226473D+01  0.620043D+00
      3   0.156755D+02 -0.116417D+02 -0.154962D+00 -0.484232D+01  0.252048D+00
      4   0.212350D+02 -0.181492D+02  0.134588D+01 -0.116583D+01  0.309628D+01
      5   0.484587D+01 -0.442480D+00 -0.541500D+01  0.864901D+01 -0.301313D+01
      6  -0.349086D+01  0.342886D+01  0.227677D+01 -0.144182D+01  0.203500D+01
               171 
      1   0.473335D+01
      2  -0.392869D+01
      3  -0.804653D+00
      4  -0.298610D+01
      5  -0.203359D+01
      6  -0.374296D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:08:04 2021, MaxMem=  5368709120 cpu:           10459.5 elap:            1309.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.49748 -19.44603 -14.63923 -10.57251 -10.49807
 Alpha  occ. eigenvalues --  -10.45815 -10.44297 -10.44049  -1.23061  -1.13915
 Alpha  occ. eigenvalues --   -1.05518  -0.94365  -0.84371  -0.83128  -0.73079
 Alpha  occ. eigenvalues --   -0.70883  -0.67291  -0.64074  -0.60337  -0.58525
 Alpha  occ. eigenvalues --   -0.57536  -0.55750  -0.53701  -0.53104  -0.50954
 Alpha  occ. eigenvalues --   -0.49032  -0.46451  -0.45515  -0.45169  -0.43028
 Alpha  occ. eigenvalues --   -0.41757  -0.37303
 Alpha virt. eigenvalues --    0.03507   0.05970   0.06202   0.06924   0.08500
 Alpha virt. eigenvalues --    0.09685   0.10103   0.11025   0.11554   0.12174
 Alpha virt. eigenvalues --    0.14736   0.15249   0.15906   0.16424   0.17019
 Alpha virt. eigenvalues --    0.18213   0.18780   0.19738   0.20659   0.21493
 Alpha virt. eigenvalues --    0.22618   0.22733   0.23855   0.24353   0.24734
 Alpha virt. eigenvalues --    0.25790   0.26762   0.28171   0.29011   0.29477
 Alpha virt. eigenvalues --    0.30623   0.31865   0.32271   0.32723   0.34327
 Alpha virt. eigenvalues --    0.34560   0.34766   0.35552   0.35970   0.36316
 Alpha virt. eigenvalues --    0.36602   0.37774   0.38411   0.38984   0.39734
 Alpha virt. eigenvalues --    0.40016   0.40086   0.41568   0.42704   0.42946
 Alpha virt. eigenvalues --    0.43339   0.43848   0.43953   0.45147   0.45977
 Alpha virt. eigenvalues --    0.46587   0.48441   0.48813   0.49441   0.50069
 Alpha virt. eigenvalues --    0.50475   0.51057   0.51797   0.52731   0.52968
 Alpha virt. eigenvalues --    0.53672   0.54857   0.55203   0.55788   0.56081
 Alpha virt. eigenvalues --    0.56618   0.56800   0.57877   0.58214   0.58656
 Alpha virt. eigenvalues --    0.59754   0.61233   0.61657   0.62458   0.62949
 Alpha virt. eigenvalues --    0.64149   0.64556   0.66241   0.67141   0.68743
 Alpha virt. eigenvalues --    0.68995   0.69691   0.70115   0.70784   0.72521
 Alpha virt. eigenvalues --    0.74124   0.74891   0.75769   0.76377   0.77695
 Alpha virt. eigenvalues --    0.79409   0.80898   0.82719   0.83845   0.84924
 Alpha virt. eigenvalues --    0.85601   0.86647   0.87890   0.88833   0.91637
 Alpha virt. eigenvalues --    0.94135   0.95086   0.98710   1.00982   1.02593
 Alpha virt. eigenvalues --    1.03473   1.05700   1.07413   1.08852   1.09444
 Alpha virt. eigenvalues --    1.10103   1.11325   1.11542   1.13053   1.16382
 Alpha virt. eigenvalues --    1.18902   1.20426   1.21597   1.22691   1.24139
 Alpha virt. eigenvalues --    1.26731   1.28524   1.31087   1.32502   1.33844
 Alpha virt. eigenvalues --    1.34484   1.39538   1.40807   1.45165   1.46568
 Alpha virt. eigenvalues --    1.50181   1.51101   1.53412   1.56753   1.58164
 Alpha virt. eigenvalues --    1.61520   1.63660   1.67244   1.69303   1.71534
 Alpha virt. eigenvalues --    1.72718   1.75988   1.78704   1.80997   1.81142
 Alpha virt. eigenvalues --    1.83804   1.85442   1.88022   1.89740   1.91416
 Alpha virt. eigenvalues --    1.92163   1.93291   1.95469   1.95997   1.98387
 Alpha virt. eigenvalues --    1.99484   2.02957   2.04068   2.05119   2.06994
 Alpha virt. eigenvalues --    2.09411   2.09513   2.10898   2.12639   2.13952
 Alpha virt. eigenvalues --    2.15407   2.17628   2.19252   2.22047   2.22587
 Alpha virt. eigenvalues --    2.24400   2.25624   2.28675   2.28888   2.31152
 Alpha virt. eigenvalues --    2.34690   2.38830   2.40226   2.42365   2.46656
 Alpha virt. eigenvalues --    2.48073   2.50355   2.51973   2.52401   2.53308
 Alpha virt. eigenvalues --    2.58632   2.63995   2.66727   2.67584   2.70890
 Alpha virt. eigenvalues --    2.73296   2.73570   2.75307   2.83803   2.93479
 Alpha virt. eigenvalues --    2.95734   2.99698   3.01140   3.05066   3.07271
 Alpha virt. eigenvalues --    3.08031   3.11403   3.13560   3.16847   3.18657
 Alpha virt. eigenvalues --    3.21002   3.25171   3.25963   3.29366   3.31764
 Alpha virt. eigenvalues --    3.36760   3.46328   3.54266   3.63454   3.69516
 Alpha virt. eigenvalues --    3.89936   4.01701
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.338269   0.289898  -0.014697   0.047305  -0.001717  -0.043789
     2  C    0.289898   5.727409   0.252665  -0.232939   0.024925   0.424606
     3  C   -0.014697   0.252665   6.176805  -0.573656  -0.011439  -0.002421
     4  C    0.047305  -0.232939  -0.573656   6.430630   0.098978  -0.035880
     5  O   -0.001717   0.024925  -0.011439   0.098978   7.894776   0.009039
     6  C   -0.043789   0.424606  -0.002421  -0.035880   0.009039   4.177037
     7  N    0.015197  -0.009433   0.006206  -0.102925  -0.025702  -0.032731
     8  O    0.003900  -0.004289  -0.000724   0.357646   0.044124  -0.002875
     9  H   -0.101717   0.074078   0.161787  -0.184371   0.016042   0.034350
    10  H   -0.117217   0.406036  -0.062330  -0.092765   0.005016  -0.025674
    11  H   -0.000080  -0.001552  -0.031511   0.113052   0.196394  -0.000569
    12  H   -0.007026  -0.044038   0.082111   0.037193  -0.015496  -0.009691
    13  H    0.011269  -0.033700   0.150533   0.013255   0.009618  -0.000040
    14  H    0.007259   0.046717  -0.074164   0.023757  -0.004052   0.344325
    15  H   -0.004413   0.114095   0.025230   0.021214  -0.001690   0.164350
    16  H   -0.015603   0.148763  -0.028450  -0.008271  -0.008268   0.185987
    17  H    0.426575  -0.058897  -0.035690   0.014539  -0.000939   0.007639
    18  H    0.069629   0.206909  -0.026177  -0.015408   0.003271  -0.016079
    19  H    0.153269   0.169569   0.030035  -0.002423   0.000238  -0.014426
               7          8          9         10         11         12
     1  C    0.015197   0.003900  -0.101717  -0.117217  -0.000080  -0.007026
     2  C   -0.009433  -0.004289   0.074078   0.406036  -0.001552  -0.044038
     3  C    0.006206  -0.000724   0.161787  -0.062330  -0.031511   0.082111
     4  C   -0.102925   0.357646  -0.184371  -0.092765   0.113052   0.037193
     5  O   -0.025702   0.044124   0.016042   0.005016   0.196394  -0.015496
     6  C   -0.032731  -0.002875   0.034350  -0.025674  -0.000569  -0.009691
     7  N    7.108286   0.016074  -0.006227   0.004968  -0.004620   0.083487
     8  O    0.016074   7.910731  -0.002458  -0.041641  -0.024879  -0.006770
     9  H   -0.006227  -0.002458   1.142658   0.023063   0.002396   0.013163
    10  H    0.004968  -0.041641   0.023063   1.098045   0.000043  -0.005216
    11  H   -0.004620  -0.024879   0.002396   0.000043   0.492701  -0.021117
    12  H    0.083487  -0.006770   0.013163  -0.005216  -0.021117   0.935150
    13  H    0.153252  -0.000277  -0.070794  -0.000912  -0.008870  -0.179457
    14  H   -0.009740  -0.006476   0.005071  -0.017847   0.000832  -0.010391
    15  H    0.004580  -0.004240  -0.006293   0.006981  -0.000020  -0.000325
    16  H    0.012911   0.003817  -0.001329  -0.007083   0.001741   0.030674
    17  H    0.007745   0.001607  -0.045465  -0.029292   0.000150   0.001811
    18  H   -0.008705   0.000680   0.008170   0.014676  -0.001238  -0.003527
    19  H   -0.001780  -0.001292   0.009802   0.013558  -0.000021  -0.000584
              13         14         15         16         17         18
     1  C    0.011269   0.007259  -0.004413  -0.015603   0.426575   0.069629
     2  C   -0.033700   0.046717   0.114095   0.148763  -0.058897   0.206909
     3  C    0.150533  -0.074164   0.025230  -0.028450  -0.035690  -0.026177
     4  C    0.013255   0.023757   0.021214  -0.008271   0.014539  -0.015408
     5  O    0.009618  -0.004052  -0.001690  -0.008268  -0.000939   0.003271
     6  C   -0.000040   0.344325   0.164350   0.185987   0.007639  -0.016079
     7  N    0.153252  -0.009740   0.004580   0.012911   0.007745  -0.008705
     8  O   -0.000277  -0.006476  -0.004240   0.003817   0.001607   0.000680
     9  H   -0.070794   0.005071  -0.006293  -0.001329  -0.045465   0.008170
    10  H   -0.000912  -0.017847   0.006981  -0.007083  -0.029292   0.014676
    11  H   -0.008870   0.000832  -0.000020   0.001741   0.000150  -0.001238
    12  H   -0.179457  -0.010391  -0.000325   0.030674   0.001811  -0.003527
    13  H    0.784322   0.002094   0.000414  -0.006105   0.002283  -0.004640
    14  H    0.002094   0.799815  -0.113935  -0.012444  -0.002800  -0.001807
    15  H    0.000414  -0.113935   0.866261  -0.067189   0.011522  -0.027392
    16  H   -0.006105  -0.012444  -0.067189   0.834531  -0.003937   0.020197
    17  H    0.002283  -0.002800   0.011522  -0.003937   0.878016  -0.124116
    18  H   -0.004640  -0.001807  -0.027392   0.020197  -0.124116   0.903589
    19  H    0.000082   0.003212   0.010472  -0.022259  -0.105321  -0.009251
              19
     1  C    0.153269
     2  C    0.169569
     3  C    0.030035
     4  C   -0.002423
     5  O    0.000238
     6  C   -0.014426
     7  N   -0.001780
     8  O   -0.001292
     9  H    0.009802
    10  H    0.013558
    11  H   -0.000021
    12  H   -0.000584
    13  H    0.000082
    14  H    0.003212
    15  H    0.010472
    16  H   -0.022259
    17  H   -0.105321
    18  H   -0.009251
    19  H    0.796785
 Mulliken charges:
               1
     1  C    0.943691
     2  C   -1.500823
     3  C   -0.024113
     4  C    0.091070
     5  O   -0.233117
     6  C    0.836842
     7  N   -0.210841
     8  O   -0.242659
     9  H   -0.071927
    10  H   -0.172409
    11  H    0.287169
    12  H    0.120048
    13  H    0.177674
    14  H    0.020574
    15  H    0.000378
    16  H   -0.057682
    17  H    0.054570
    18  H    0.011219
    19  H   -0.029665
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.979815
     2  C   -1.673232
     3  C   -0.096041
     4  C    0.091070
     5  O    0.054052
     6  C    0.800113
     7  N    0.086881
     8  O   -0.242659
 Electronic spatial extent (au):  <R**2>=           1055.4700
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.2339    Y=              3.5394    Z=              0.4100  Tot=              5.5336
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.5753   YY=            -50.1465   ZZ=            -48.0544
   XY=             -3.9448   XZ=             -0.4012   YZ=             -1.8266
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.6499   YY=              1.7789   ZZ=              3.8710
   XY=             -3.9448   XZ=             -0.4012   YZ=             -1.8266
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             10.7843  YYY=             16.9114  ZZZ=             -1.0914  XYY=              6.9841
  XXY=              6.1637  XXZ=              0.5206  XZZ=             -2.5335  YZZ=              4.8196
  YYZ=              3.4396  XYZ=              2.6836
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -864.9544 YYYY=           -330.5953 ZZZZ=           -210.8922 XXXY=            -21.1383
 XXXZ=              2.4986 YYYX=             -3.9889 YYYZ=             -4.1722 ZZZX=             -1.2623
 ZZZY=              4.7561 XXYY=           -193.9580 XXZZ=           -172.9675 YYZZ=            -89.1516
 XXYZ=             -0.7201 YYXZ=             -4.8005 ZZXY=              0.1271
 N-N= 4.085379247680D+02 E-N=-1.752925723291D+03  KE= 3.973257553521D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:08:05 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54786413D+00 1.36513306D+00 1.64282711D-01
 Polarizability= 8.07011080D+01-4.57700373D-03 7.52912426D+01
                -1.85131322D+00 1.27549900D+00 6.61927954D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9204    0.9204       -0.0811   -0.0778
 2     -0.9204   -0.9204       -0.7226   -0.7241       -2.6515   -2.6536
 3      0.0811    0.0778        7.4283    7.4324        0.7212    0.7241
 4      0.7226    0.7241        0.0000    0.0000        0.0806    0.0778
 5     -4.7767   -4.7788       -0.0806   -0.0778        0.9226    0.9204
 6     -0.7212   -0.7241       -0.9226   -0.9204       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.7613   -2.7613       -0.2334   -0.2334
 2      2.1724    2.1724       -0.0000    0.0000       -0.2334   -0.2334
 3      2.1724    2.1724       -2.7613   -2.7613        0.0000    0.0000
 4     -2.7613   -2.7613       -2.1724   -2.1724       -7.9608   -7.9608
 5      0.2334    0.2334       22.2971   22.2971        2.1724    2.1724
 6    -14.3363  -14.3363       -0.2334   -0.2334        2.7613    2.7613
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2742    0.0000       -4.1581   -3.6818        0.5211    0.3112
 2      3.7880    3.6818        2.9037    2.8965       10.9387   10.6145
 3     -0.5556   -0.3112      -29.7984  -29.7295       -2.4965   -2.8965
 4     -2.8326   -2.8965        0.0299    0.0000       -0.5607   -0.3112
 5     19.1240   19.1150        0.4065    0.3112       -3.7384   -3.6818
 6      2.9763    2.8965        3.6065    3.6818        0.0648    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0537    0.0000        6.7341    6.6958       -1.7749   -2.1017
 2     -6.3247   -6.6958       16.1330   16.0359       16.9983   16.9103
 3      2.5885    2.1017       15.2448   14.9037      -17.2670  -16.0359
 4    -16.2822  -16.0359       -0.0817    0.0000        1.7840    2.1017
 5    -31.7747  -31.8140       -2.4451   -2.1017        7.4507    6.6958
 6     16.2934   16.0359       -6.6129   -6.6958       -0.1973    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.9418  -10.1140        6.6306    6.0310       -2.1781   -1.6956
 2    -35.0992  -34.9374        8.1492    7.7651       -2.0810   -1.6956
 3    -34.9152  -34.9374        6.5113    6.0310       -2.1775   -1.6515
 4     -1.6576   -1.7341       24.9346   24.8234       18.8347   18.9942
 5      0.1495    0.0441       30.7309   30.5040      -25.3595  -24.8234
 6    -49.9428  -49.4983       -0.9317   -0.0441        2.8987    1.7341
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.6347   -7.7866   -0.0011    0.0003    0.0004    3.9761
 Low frequencies ---   56.7213   83.2177  184.4170
 Diagonal vibrational polarizability:
       22.1512913      14.3772525      19.8281115
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     56.6886                83.2172               184.4165
 Red. masses --      4.8505                 2.7862                 3.4542
 Frc consts  --      0.0092                 0.0114                 0.0692
 IR Inten    --      0.6144                 3.1886                 7.5720
 RamAct Fr= 1--      0.7971                 0.4668                 0.4124
  Dep-P Fr= 1--      0.7436                 0.7452                 0.6997
  Dep-U Fr= 1--      0.8529                 0.8540                 0.8234
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0004
 Beta2  Fr= 1--      0.1133                 0.0664                 0.0566
 AlphaG Fr= 1--     -0.0007                -0.0004                 0.0011
 Gamma2 Fr= 1--      0.2160                 0.2595                 0.2909
 Delta2 Fr= 1--      0.1027                 0.1710                 0.0622
 Raman1 Fr= 1--       3.189                  1.867                  1.650
 ROA1   Fr= 1--      24.017                 30.382                 29.917
 CID1   Fr= 1--       7.532                 16.270                 18.134
 Raman2 Fr= 1--       1.360                  0.797                  0.679
 ROA2   Fr= 1--       4.362                  4.860                  6.485
 CID2   Fr= 1--       3.207                  6.095                  9.548
 Raman3 Fr= 1--       2.720                  1.595                  1.358
 ROA3   Fr= 1--      24.017                 30.382                 29.917
 CID3   Fr= 1--       8.831                 19.051                 22.025
 RC180  Fr= 1--       0.706                  0.708                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.05    -0.03  -0.14  -0.15     0.03  -0.15  -0.03
     2   6    -0.02   0.00   0.04    -0.01  -0.01   0.06    -0.07   0.05  -0.07
     3   6    -0.00  -0.00  -0.07     0.00   0.02   0.07    -0.01   0.14  -0.04
     4   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04     0.07   0.02   0.01
     5   8     0.13  -0.13   0.31    -0.05  -0.02  -0.07     0.00  -0.09   0.03
     6   6    -0.10   0.12   0.08     0.12   0.16   0.10    -0.21   0.01  -0.07
     7   7     0.01   0.03  -0.13    -0.03  -0.03   0.15    -0.04   0.09   0.04
     8   8    -0.06   0.06  -0.26     0.01   0.02  -0.12     0.23  -0.02   0.09
     9   1     0.03  -0.09  -0.09     0.04   0.08   0.09    -0.03   0.20  -0.03
    10   1    -0.01  -0.04   0.11    -0.12  -0.06   0.18    -0.18   0.08  -0.08
    11   1     0.15  -0.15   0.34    -0.05  -0.04   0.02    -0.11  -0.03   0.01
    12   1     0.27   0.16  -0.26    -0.07  -0.09   0.17    -0.10   0.02   0.07
    13   1    -0.27   0.08  -0.30    -0.01   0.01   0.22     0.01   0.12   0.12
    14   1    -0.12   0.16   0.08     0.08   0.36   0.28    -0.35   0.28  -0.09
    15   1    -0.12   0.11   0.17     0.02   0.04   0.08    -0.43  -0.25  -0.06
    16   1    -0.11   0.16   0.03     0.35   0.21  -0.04     0.05  -0.06  -0.07
    17   1     0.07  -0.16   0.03    -0.10  -0.33  -0.19     0.12  -0.21  -0.05
    18   1    -0.01  -0.01  -0.03     0.04  -0.04  -0.34     0.13  -0.15  -0.07
    19   1    -0.00  -0.05   0.16    -0.04  -0.13  -0.09    -0.08  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    223.9321               246.5923               270.7235
 Red. masses --      1.1411                 1.0783                 1.9389
 Frc consts  --      0.0337                 0.0386                 0.0837
 IR Inten    --      0.8081                 0.2752                 4.9524
 RamAct Fr= 1--      0.0855                 0.0849                 0.3701
  Dep-P Fr= 1--      0.7495                 0.5289                 0.3429
  Dep-U Fr= 1--      0.8568                 0.6919                 0.5107
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0033
 Beta2  Fr= 1--      0.0122                 0.0098                 0.0315
 AlphaG Fr= 1--      0.0000                -0.0009                 0.0002
 Gamma2 Fr= 1--      0.0034                -0.0489                -0.2813
 Delta2 Fr= 1--      0.0100                 0.0096                -0.0806
 Raman1 Fr= 1--       0.342                  0.340                  1.480
 ROA1   Fr= 1--       0.648                 -4.389                -29.582
 CID1   Fr= 1--       1.894                -12.926                -19.984
 Raman2 Fr= 1--       0.147                  0.117                  0.378
 ROA2   Fr= 1--       0.003                 -1.250                 -6.106
 CID2   Fr= 1--       0.018                -10.647                -16.153
 Raman3 Fr= 1--       0.293                  0.235                  0.756
 ROA3   Fr= 1--       0.648                 -4.389                -29.582
 CID3   Fr= 1--       2.211                -18.684                -39.130
 RC180  Fr= 1--       0.714                  0.384                  0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
     2   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.01  -0.00  -0.07
     3   6     0.00  -0.02  -0.02    -0.01  -0.01  -0.00     0.01  -0.03  -0.07
     4   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.02  -0.03
     5   8     0.02   0.02   0.00    -0.01  -0.00   0.00     0.07   0.02   0.03
     6   6    -0.00  -0.01  -0.02     0.04   0.01   0.00    -0.11   0.15  -0.02
     7   7     0.01  -0.04   0.01    -0.01   0.01  -0.03     0.04  -0.11   0.06
     8   8    -0.04  -0.01   0.02    -0.02  -0.01  -0.01    -0.06  -0.03   0.03
     9   1    -0.01  -0.00  -0.02    -0.00  -0.03  -0.01    -0.01   0.07  -0.05
    10   1     0.05  -0.00  -0.03     0.01   0.01  -0.00     0.08  -0.04  -0.02
    11   1     0.05   0.01  -0.00    -0.01  -0.00  -0.01     0.08   0.03  -0.07
    12   1     0.01  -0.07   0.01    -0.03   0.02  -0.02    -0.29  -0.36   0.21
    13   1     0.02  -0.03   0.03     0.01  -0.01  -0.04     0.43  -0.17   0.33
    14   1    -0.14   0.33   0.08    -0.08   0.35   0.15    -0.11   0.13  -0.07
    15   1    -0.25  -0.30  -0.08    -0.20  -0.29  -0.09    -0.08   0.23   0.17
    16   1     0.37  -0.07  -0.06     0.45  -0.04  -0.06    -0.23   0.24  -0.10
    17   1     0.16  -0.27  -0.06    -0.09   0.40   0.13     0.01   0.20   0.04
    18   1    -0.27   0.27  -0.21     0.20  -0.21   0.33     0.05  -0.06   0.14
    19   1     0.09   0.26   0.41    -0.05  -0.14  -0.31     0.01  -0.00  -0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    292.1084               311.5377               363.4823
 Red. masses --      1.4215                 2.8254                 3.3522
 Frc consts  --      0.0715                 0.1616                 0.2609
 IR Inten    --     13.1367                 7.1082                 9.8872
 RamAct Fr= 1--      0.4304                 0.7583                 0.7125
  Dep-P Fr= 1--      0.2598                 0.3372                 0.4510
  Dep-U Fr= 1--      0.4124                 0.5043                 0.6216
 Alpha2 Fr= 1--      0.0050                 0.0069                 0.0044
 Beta2  Fr= 1--      0.0296                 0.0637                 0.0738
 AlphaG Fr= 1--      0.0101                -0.0036                 0.0011
 Gamma2 Fr= 1--     -0.1850                 0.2232                -0.2758
 Delta2 Fr= 1--     -0.1218                 0.0287                -0.0450
 Raman1 Fr= 1--       1.722                  3.033                  2.850
 ROA1   Fr= 1--     -21.657                 22.346                -27.914
 CID1   Fr= 1--     -12.579                  7.368                 -9.794
 Raman2 Fr= 1--       0.355                  0.765                  0.886
 ROA2   Fr= 1--      -3.465                  5.128                 -6.258
 CID2   Fr= 1--      -9.762                  6.705                 -7.065
 Raman3 Fr= 1--       0.710                  1.530                  1.772
 ROA3   Fr= 1--     -21.657                 22.346                -27.914
 CID3   Fr= 1--     -30.503                 14.610                -15.755
 RC180  Fr= 1--      -0.175                  0.009                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.02     0.22  -0.11   0.08    -0.05   0.02  -0.10
     2   6    -0.00   0.01  -0.02     0.06   0.07  -0.07     0.02   0.01   0.08
     3   6     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.04  -0.03  -0.01
     4   6     0.00  -0.02  -0.00    -0.05  -0.02  -0.00     0.07  -0.01  -0.04
     5   8     0.02   0.03  -0.06     0.00   0.03   0.00     0.24   0.12  -0.01
     6   6    -0.07   0.05  -0.00     0.08   0.05  -0.09    -0.05  -0.09   0.07
     7   7     0.06  -0.06   0.10    -0.17  -0.01   0.05    -0.25  -0.02   0.01
     8   8    -0.00  -0.03   0.03    -0.12  -0.02   0.04     0.00  -0.02   0.01
     9   1    -0.02   0.02   0.01    -0.05   0.08  -0.02     0.15  -0.01  -0.00
    10   1     0.01  -0.00  -0.00     0.04   0.08  -0.09    -0.01   0.02   0.08
    11   1     0.15  -0.07   0.15     0.09  -0.01   0.03     0.43   0.08  -0.14
    12   1     0.66   0.06  -0.20    -0.04   0.04  -0.01    -0.36   0.05   0.07
    13   1    -0.56   0.14  -0.17    -0.42   0.13   0.03    -0.33   0.09   0.09
    14   1    -0.10   0.09  -0.04     0.13  -0.04  -0.09    -0.11  -0.06  -0.04
    15   1    -0.10   0.02   0.06     0.15   0.13  -0.10    -0.12  -0.18   0.05
    16   1    -0.07   0.05  -0.01     0.00   0.06  -0.08    -0.03  -0.17   0.17
    17   1    -0.07   0.12   0.00     0.49  -0.16   0.05    -0.29   0.01  -0.09
    18   1     0.02  -0.02   0.04     0.29  -0.13   0.09     0.02   0.04  -0.16
    19   1    -0.01   0.01  -0.12     0.06  -0.26   0.28     0.00   0.05  -0.28
                     10                     11                     12
                      A                      A                      A
 Frequencies --    413.8798               520.2719               545.0772
 Red. masses --      2.7281                 4.4491                 3.9565
 Frc consts  --      0.2753                 0.7095                 0.6926
 IR Inten    --      1.5002                 1.9851                 2.9371
 RamAct Fr= 1--      2.5952                 2.1332                 2.3017
  Dep-P Fr= 1--      0.0843                 0.5768                 0.5161
  Dep-U Fr= 1--      0.1554                 0.7316                 0.6808
 Alpha2 Fr= 1--      0.0472                 0.0069                 0.0105
 Beta2  Fr= 1--      0.0672                 0.2601                 0.2612
 AlphaG Fr= 1--     -0.0176                -0.0078                 0.0233
 Gamma2 Fr= 1--     -0.2502                 0.9833                -1.0075
 Delta2 Fr= 1--     -0.0194                 0.0560                 0.0275
 Raman1 Fr= 1--      10.381                  8.533                  9.207
 ROA1   Fr= 1--     -24.639                 96.188                -95.844
 CID1   Fr= 1--      -2.374                 11.273                -10.410
 Raman2 Fr= 1--       0.807                  3.121                  3.134
 ROA2   Fr= 1--      -5.849                 23.150                -24.401
 CID2   Fr= 1--      -7.250                  7.417                 -7.785
 Raman3 Fr= 1--       1.613                  6.243                  6.268
 ROA3   Fr= 1--     -24.639                 96.188                -95.844
 CID3   Fr= 1--     -15.271                 15.408                -15.290
 RC180  Fr= 1--      -0.689                  0.463                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.05  -0.14     0.05   0.00  -0.01    -0.07  -0.03   0.04
     2   6     0.16   0.08   0.05     0.09  -0.19  -0.10    -0.06  -0.02  -0.08
     3   6     0.05  -0.02   0.10    -0.01  -0.16   0.11    -0.00  -0.01   0.24
     4   6    -0.01  -0.05   0.07     0.02   0.08   0.20     0.07  -0.17   0.16
     5   8    -0.09  -0.05  -0.01    -0.11   0.11   0.03     0.14   0.02  -0.09
     6   6    -0.12  -0.04   0.04    -0.04   0.04  -0.06    -0.03   0.06  -0.13
     7   7     0.03   0.05  -0.02    -0.14  -0.13  -0.05     0.04   0.18   0.02
     8   8    -0.11  -0.00  -0.02     0.19   0.15  -0.08    -0.08  -0.09  -0.10
     9   1    -0.02  -0.07   0.09    -0.20  -0.24   0.09    -0.23  -0.01   0.24
    10   1     0.18   0.09   0.02     0.12  -0.17  -0.12    -0.18   0.04  -0.14
    11   1    -0.17  -0.02  -0.00    -0.05   0.09   0.05     0.22   0.00  -0.18
    12   1    -0.06   0.13   0.03    -0.18   0.09  -0.01    -0.13   0.42   0.12
    13   1     0.14  -0.04  -0.06    -0.28  -0.10  -0.13     0.21  -0.05  -0.16
    14   1    -0.29   0.08  -0.27    -0.13   0.21  -0.07    -0.02   0.11  -0.03
    15   1    -0.29  -0.21   0.20    -0.10   0.04   0.29    -0.01   0.11  -0.01
    16   1    -0.17  -0.14   0.19    -0.11   0.22  -0.28    -0.05   0.18  -0.28
    17   1    -0.03  -0.06  -0.16     0.09   0.12   0.01     0.08   0.02   0.05
    18   1     0.32   0.10  -0.28    -0.15  -0.02   0.11    -0.18  -0.05   0.13
    19   1     0.15   0.01  -0.26     0.16   0.13  -0.02    -0.07  -0.01   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    608.0886               734.0025               810.7170
 Red. masses --      2.6355                 6.0022                 2.4912
 Frc consts  --      0.5742                 1.9053                 0.9647
 IR Inten    --      9.9354                 8.8088                35.9143
 RamAct Fr= 1--      1.3479                 8.5051                 3.8005
  Dep-P Fr= 1--      0.1826                 0.0337                 0.0709
  Dep-U Fr= 1--      0.3088                 0.0652                 0.1324
 Alpha2 Fr= 1--      0.0192                 0.1746                 0.0714
 Beta2  Fr= 1--      0.0694                 0.0924                 0.0838
 AlphaG Fr= 1--      0.0169                 0.0392                -0.0747
 Gamma2 Fr= 1--      0.2182                -0.7969                 0.0756
 Delta2 Fr= 1--      0.1904                -0.1786                 0.0090
 Raman1 Fr= 1--       5.392                 34.020                 15.202
 ROA1   Fr= 1--      27.040                -82.222                  7.549
 CID1   Fr= 1--       5.015                 -2.417                  0.497
 Raman2 Fr= 1--       0.833                  1.109                  1.006
 ROA2   Fr= 1--       3.714                -17.697                  1.743
 CID2   Fr= 1--       4.461                -15.965                  1.733
 Raman3 Fr= 1--       1.665                  2.217                  2.012
 ROA3   Fr= 1--      27.040                -82.222                  7.549
 CID3   Fr= 1--      16.239                -37.087                  3.752
 RC180  Fr= 1--      -0.382                 -0.870                 -0.735
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00    -0.12  -0.03   0.05     0.07   0.01  -0.04
     2   6    -0.07   0.21   0.05    -0.06   0.14   0.04    -0.01  -0.08  -0.07
     3   6    -0.14  -0.06   0.01     0.12  -0.01  -0.03    -0.10   0.05  -0.14
     4   6    -0.04  -0.06   0.10     0.32   0.06   0.22     0.07  -0.04   0.14
     5   8     0.01   0.11   0.00     0.05  -0.19  -0.14     0.03  -0.01  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.05  -0.06     0.00  -0.06   0.15
     7   7     0.03  -0.10  -0.03    -0.04  -0.18  -0.07    -0.07   0.11   0.04
     8   8     0.10  -0.03  -0.08    -0.15   0.23   0.05    -0.02   0.03  -0.02
     9   1    -0.31  -0.15  -0.01    -0.05  -0.16  -0.06    -0.38   0.04  -0.15
    10   1     0.04   0.16   0.08    -0.07   0.12   0.07    -0.03  -0.11  -0.01
    11   1     0.21   0.04  -0.02    -0.39  -0.07   0.13     0.04  -0.09   0.27
    12   1     0.13  -0.25  -0.09    -0.10  -0.19  -0.04     0.34  -0.33  -0.18
    13   1     0.23  -0.23  -0.04    -0.21  -0.00   0.05     0.33  -0.07   0.11
    14   1     0.04  -0.11  -0.05     0.04  -0.08  -0.08     0.04  -0.06   0.26
    15   1     0.01  -0.04  -0.29     0.01   0.02  -0.35     0.04  -0.01   0.16
    16   1     0.07  -0.19   0.25     0.06  -0.11   0.12     0.03  -0.01   0.09
    17   1     0.10  -0.15  -0.04    -0.11  -0.11   0.03     0.12   0.14  -0.02
    18   1     0.34   0.01  -0.12     0.04  -0.02  -0.02    -0.12  -0.01   0.06
    19   1    -0.20  -0.25   0.08    -0.23  -0.16   0.07     0.19   0.15  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.2984               876.6753               901.0411
 Red. masses --      2.1115                 1.2958                 1.8198
 Frc consts  --      0.8784                 0.5868                 0.8705
 IR Inten    --     49.1301                70.6109                59.7516
 RamAct Fr= 1--      3.7664                 1.3657                 3.3736
  Dep-P Fr= 1--      0.0273                 0.5420                 0.7278
  Dep-U Fr= 1--      0.0531                 0.7030                 0.8425
 Alpha2 Fr= 1--      0.0785                 0.0055                 0.0013
 Beta2  Fr= 1--      0.0333                 0.1600                 0.4737
 AlphaG Fr= 1--      0.0050                 0.0367                -0.0025
 Gamma2 Fr= 1--     -0.1959                -0.2552                -0.0851
 Delta2 Fr= 1--      0.0208                -0.0444                -0.2236
 Raman1 Fr= 1--      15.066                  5.463                 13.494
 ROA1   Fr= 1--     -18.142                -25.920                -15.322
 CID1   Fr= 1--      -1.204                 -4.745                 -1.135
 Raman2 Fr= 1--       0.400                  1.920                  5.684
 ROA2   Fr= 1--      -4.868                 -5.770                 -0.253
 CID2   Fr= 1--     -12.176                 -3.005                 -0.044
 Raman3 Fr= 1--       0.800                  3.840                 11.369
 ROA3   Fr= 1--     -18.142                -25.920                -15.322
 CID3   Fr= 1--     -22.687                 -6.750                 -1.348
 RC180  Fr= 1--      -0.894                  0.406                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00    -0.04  -0.03   0.04     0.07   0.06  -0.07
     2   6    -0.00   0.01  -0.02     0.05   0.01   0.04    -0.10   0.01  -0.06
     3   6     0.08   0.10  -0.11     0.06  -0.00  -0.03    -0.05   0.01   0.09
     4   6    -0.02  -0.10   0.15    -0.02  -0.02   0.01    -0.01   0.04  -0.06
     5   8    -0.07   0.06   0.02    -0.04   0.04  -0.03     0.03  -0.03  -0.04
     6   6    -0.01  -0.01   0.05     0.01   0.02  -0.06    -0.03  -0.05   0.09
     7   7     0.10  -0.03  -0.04    -0.02   0.04  -0.02     0.06  -0.07  -0.06
     8   8     0.00  -0.05  -0.06     0.01  -0.03   0.00    -0.00   0.02   0.03
     9   1    -0.06   0.09  -0.11     0.08  -0.06  -0.03    -0.09   0.06   0.10
    10   1    -0.07  -0.01   0.03     0.05  -0.00   0.04    -0.15   0.06  -0.11
    11   1     0.07   0.05  -0.20     0.30  -0.28   0.82     0.19  -0.21   0.53
    12   1    -0.43   0.03   0.21    -0.09  -0.07   0.01    -0.41   0.20   0.18
    13   1    -0.46   0.50   0.27     0.15   0.03   0.11    -0.17   0.07  -0.04
    14   1     0.04  -0.07   0.09    -0.03   0.03  -0.16     0.04  -0.04   0.29
    15   1     0.02  -0.01  -0.05    -0.02  -0.01  -0.04     0.05   0.03   0.08
    16   1     0.03  -0.05   0.08    -0.02  -0.01  -0.01     0.03   0.05  -0.05
    17   1    -0.05   0.05   0.02    -0.18  -0.07   0.04     0.32   0.11  -0.07
    18   1    -0.14  -0.01   0.04    -0.04   0.00  -0.02     0.08  -0.01   0.03
    19   1     0.08   0.08  -0.04    -0.00   0.01  -0.04    -0.03  -0.04   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    937.7901               971.2686               998.8809
 Red. masses --      1.1897                 1.4691                 2.0701
 Frc consts  --      0.6165                 0.8165                 1.2169
 IR Inten    --      1.4996                 1.6942                59.9589
 RamAct Fr= 1--      0.5264                 2.8534                 1.9926
  Dep-P Fr= 1--      0.6579                 0.7396                 0.6696
  Dep-U Fr= 1--      0.7937                 0.8503                 0.8021
 Alpha2 Fr= 1--      0.0009                 0.0005                 0.0028
 Beta2  Fr= 1--      0.0696                 0.4044                 0.2664
 AlphaG Fr= 1--      0.0010                -0.0007                -0.0147
 Gamma2 Fr= 1--      0.0709                 0.0185                 1.1671
 Delta2 Fr= 1--      0.1325                -0.1167                 0.7222
 Raman1 Fr= 1--       2.106                 11.414                  7.970
 ROA1   Fr= 1--      11.049                 -1.961                135.149
 CID1   Fr= 1--       5.248                 -0.172                 16.956
 Raman2 Fr= 1--       0.836                  4.853                  3.197
 ROA2   Fr= 1--       0.642                  1.377                 22.232
 CID2   Fr= 1--       0.769                  0.284                  6.955
 Raman3 Fr= 1--       1.671                  9.705                  6.393
 ROA3   Fr= 1--      11.049                 -1.961                135.149
 CID3   Fr= 1--       6.612                 -0.202                 21.140
 RC180  Fr= 1--       0.587                  0.701                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.06    -0.12   0.02   0.02    -0.03   0.04  -0.07
     2   6    -0.02  -0.02   0.03     0.07   0.03  -0.06    -0.07   0.05  -0.04
     3   6     0.00   0.01  -0.02    -0.03   0.01  -0.03     0.22   0.00   0.01
     4   6     0.01  -0.01   0.02     0.00   0.00   0.01     0.03  -0.05   0.02
     5   8    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.08   0.06   0.04
     6   6    -0.05  -0.06  -0.03     0.09  -0.06   0.05    -0.03  -0.04   0.05
     7   7     0.00   0.01   0.00     0.02   0.01   0.00    -0.08  -0.02  -0.00
     8   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.02
     9   1     0.02  -0.00  -0.02    -0.08   0.01  -0.03     0.48  -0.03   0.00
    10   1     0.18   0.13  -0.26     0.26   0.08  -0.21    -0.27   0.18  -0.18
    11   1    -0.00   0.00  -0.01     0.00  -0.00  -0.01    -0.03   0.04   0.02
    12   1     0.01  -0.02  -0.00    -0.05  -0.01   0.03     0.26  -0.10  -0.16
    13   1    -0.01   0.02   0.02    -0.06   0.10   0.06     0.22  -0.23  -0.06
    14   1     0.08   0.02   0.42    -0.12   0.18  -0.18     0.02   0.01   0.24
    15   1     0.12   0.16   0.02    -0.06  -0.11   0.56     0.05   0.06   0.09
    16   1     0.09   0.20  -0.41    -0.15   0.09  -0.06     0.01   0.07  -0.11
    17   1    -0.33  -0.25   0.01     0.11  -0.13  -0.03     0.35   0.11  -0.07
    18   1     0.34   0.16  -0.27     0.20  -0.05   0.00     0.02  -0.07   0.10
    19   1    -0.01  -0.06  -0.18    -0.42  -0.31   0.17    -0.19  -0.10   0.18
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1036.9251              1085.8003              1163.0615
 Red. masses --      1.9089                 1.5880                 1.9981
 Frc consts  --      1.2093                 1.1030                 1.5925
 IR Inten    --      6.7725                 8.3868                 2.8017
 RamAct Fr= 1--      4.5516                 3.2108                 2.4435
  Dep-P Fr= 1--      0.4540                 0.7295                 0.4339
  Dep-U Fr= 1--      0.6245                 0.8436                 0.6052
 Alpha2 Fr= 1--      0.0275                 0.0011                 0.0160
 Beta2  Fr= 1--      0.4737                 0.4514                 0.2465
 AlphaG Fr= 1--     -0.0018                -0.0027                -0.0028
 Gamma2 Fr= 1--      0.1450                 0.3169                 0.8419
 Delta2 Fr= 1--     -0.4504                 0.3743                 0.3636
 Raman1 Fr= 1--      18.207                 12.843                  9.774
 ROA1   Fr= 1--      -0.490                 42.399                 92.457
 CID1   Fr= 1--      -0.027                  3.301                  9.460
 Raman2 Fr= 1--       5.685                  5.417                  2.957
 ROA2   Fr= 1--       7.084                  4.612                 17.297
 CID2   Fr= 1--       1.246                  0.851                  5.849
 Raman3 Fr= 1--      11.370                 10.835                  5.915
 ROA3   Fr= 1--      -0.490                 42.399                 92.457
 CID3   Fr= 1--      -0.043                  3.913                 15.631
 RC180  Fr= 1--       0.249                  0.687                  0.210
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.03    -0.05  -0.04   0.05    -0.03  -0.11  -0.01
     2   6     0.03   0.06   0.03     0.08   0.02  -0.13     0.08   0.16  -0.07
     3   6    -0.04   0.18   0.07     0.04   0.03   0.01     0.03  -0.13   0.03
     4   6    -0.00  -0.01  -0.00     0.04  -0.01  -0.04    -0.07   0.04  -0.04
     5   8     0.01   0.01  -0.00    -0.03   0.03   0.02     0.02  -0.03  -0.00
     6   6     0.06  -0.05  -0.02    -0.03   0.03   0.09    -0.05  -0.03   0.05
     7   7    -0.01  -0.12  -0.07    -0.02  -0.05   0.01     0.01   0.05   0.01
     8   8    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.03   0.02
     9   1    -0.05   0.14   0.06    -0.26   0.47   0.10    -0.18  -0.44  -0.04
    10   1    -0.38   0.25  -0.14     0.28  -0.01  -0.15     0.01   0.31  -0.28
    11   1    -0.00   0.01  -0.01    -0.05   0.02   0.08     0.07  -0.03  -0.09
    12   1     0.11  -0.22  -0.14    -0.02   0.31   0.04     0.02  -0.18  -0.01
    13   1     0.06  -0.18  -0.09     0.08  -0.32  -0.29    -0.04   0.23   0.21
    14   1    -0.09   0.17  -0.12     0.07  -0.14   0.14     0.04  -0.02   0.27
    15   1    -0.01  -0.03   0.42     0.02   0.01  -0.22     0.09   0.11  -0.01
    16   1    -0.12   0.12  -0.16     0.10  -0.11   0.23     0.09   0.03  -0.06
    17   1    -0.25   0.04   0.07    -0.23  -0.10   0.04    -0.13   0.12   0.05
    18   1    -0.23   0.02  -0.00    -0.07   0.01  -0.03    -0.40  -0.08   0.10
    19   1     0.29   0.23  -0.12    -0.00  -0.01  -0.07     0.15   0.13   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1200.1039              1204.6202              1218.4120
 Red. masses --      1.9731                 2.0581                 2.4615
 Frc consts  --      1.6743                 1.7596                 2.1529
 IR Inten    --     11.3107                 5.1388                13.8535
 RamAct Fr= 1--      1.4423                 2.6808                 3.6952
  Dep-P Fr= 1--      0.7118                 0.7396                 0.1960
  Dep-U Fr= 1--      0.8317                 0.8503                 0.3277
 Alpha2 Fr= 1--      0.0010                 0.0005                 0.0507
 Beta2  Fr= 1--      0.1999                 0.3799                 0.2018
 AlphaG Fr= 1--      0.0040                -0.0004                 0.0079
 Gamma2 Fr= 1--     -1.5535                 0.3681                -0.0397
 Delta2 Fr= 1--     -0.3830                -0.3848                 0.3194
 Raman1 Fr= 1--       5.769                 10.723                 14.781
 ROA1   Fr= 1--    -161.388                 23.025                  6.406
 CID1   Fr= 1--     -27.973                  2.147                  0.433
 Raman2 Fr= 1--       2.399                  4.559                  2.422
 ROA2   Fr= 1--     -34.219                 11.913                 -3.509
 CID2   Fr= 1--     -14.264                  2.613                 -1.449
 Raman3 Fr= 1--       4.798                  9.118                  4.844
 ROA3   Fr= 1--    -161.388                 23.025                  6.406
 CID3   Fr= 1--     -33.636                  2.525                  1.322
 RC180  Fr= 1--       0.663                  0.701                 -0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.03    -0.03  -0.05  -0.08     0.06   0.00   0.06
     2   6    -0.11   0.08  -0.02     0.07   0.09   0.14    -0.11   0.01  -0.07
     3   6     0.02  -0.12  -0.14    -0.09  -0.02  -0.08    -0.03  -0.09   0.01
     4   6    -0.07   0.01   0.07     0.12  -0.03  -0.03     0.22  -0.03  -0.12
     5   8     0.01  -0.04  -0.02    -0.03   0.05   0.02    -0.06   0.10   0.06
     6   6     0.08  -0.02   0.01    -0.04  -0.08  -0.06     0.06   0.02   0.03
     7   7     0.01   0.01   0.08     0.02  -0.01   0.04     0.02   0.04   0.02
     8   8     0.02   0.05   0.00    -0.01  -0.02  -0.01    -0.02  -0.07  -0.01
     9   1     0.23   0.20  -0.07    -0.06   0.14  -0.05    -0.17  -0.36  -0.06
    10   1    -0.21   0.11  -0.04     0.22  -0.01   0.26    -0.25   0.07  -0.12
    11   1     0.18  -0.08  -0.05    -0.24   0.09   0.15    -0.48   0.20   0.24
    12   1    -0.12   0.52   0.18    -0.11   0.30   0.13    -0.07  -0.03   0.05
    13   1     0.08  -0.27  -0.26    -0.03  -0.15  -0.18    -0.11   0.16   0.09
    14   1    -0.07   0.12  -0.15    -0.01   0.07   0.20    -0.04   0.06  -0.18
    15   1    -0.05  -0.11   0.25     0.11   0.11   0.06    -0.08  -0.12   0.13
    16   1    -0.17   0.04  -0.00     0.03   0.16  -0.40    -0.13  -0.04   0.16
    17   1    -0.17   0.01   0.05     0.21   0.20  -0.03    -0.21  -0.07   0.05
    18   1    -0.06   0.08  -0.09    -0.25  -0.15   0.20     0.04   0.12  -0.15
    19   1     0.18   0.11  -0.13     0.02   0.06   0.17     0.12   0.04  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.0620              1354.2961              1370.4179
 Red. masses --      1.3086                 1.4808                 1.3611
 Frc consts  --      1.2693                 1.6002                 1.5061
 IR Inten    --      0.4390                 0.2728                 1.1677
 RamAct Fr= 1--      5.0303                 4.3093                 5.7192
  Dep-P Fr= 1--      0.6566                 0.6665                 0.7223
  Dep-U Fr= 1--      0.7927                 0.7999                 0.8388
 Alpha2 Fr= 1--      0.0084                 0.0064                 0.0027
 Beta2  Fr= 1--      0.6646                 0.5745                 0.7995
 AlphaG Fr= 1--      0.0032                 0.0130                -0.0047
 Gamma2 Fr= 1--     -0.5284                -0.3713                -0.0614
 Delta2 Fr= 1--     -0.9963                -0.8104                -0.2483
 Raman1 Fr= 1--      20.121                 17.237                 22.877
 ROA1   Fr= 1--     -82.608                -61.578                -13.843
 CID1   Fr= 1--      -4.106                 -3.572                 -0.605
 Raman2 Fr= 1--       7.975                  6.894                  9.594
 ROA2   Fr= 1--      -4.711                 -2.429                  0.512
 CID2   Fr= 1--      -0.591                 -0.352                  0.053
 Raman3 Fr= 1--      15.951                 13.788                 19.188
 ROA3   Fr= 1--     -82.608                -61.578                -13.843
 CID3   Fr= 1--      -5.179                 -4.466                 -0.721
 RC180  Fr= 1--       0.585                  0.600                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.00     0.03  -0.05  -0.03     0.02   0.01   0.04
     2   6     0.02  -0.01  -0.03    -0.17   0.03   0.02     0.02   0.08  -0.12
     3   6    -0.14   0.02   0.01     0.06   0.01   0.05    -0.02  -0.05   0.04
     4   6     0.03  -0.02   0.05    -0.00  -0.00  -0.01    -0.00  -0.00   0.01
     5   8     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6    -0.01   0.04   0.02     0.04  -0.01  -0.01    -0.01  -0.05  -0.02
     7   7     0.01  -0.00  -0.00    -0.02   0.00  -0.03    -0.00   0.02  -0.03
     8   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1     0.83  -0.09   0.00    -0.09   0.15   0.08     0.31   0.27   0.12
    10   1     0.27   0.12  -0.32     0.85  -0.13  -0.03    -0.08  -0.39   0.65
    11   1    -0.10   0.03   0.07     0.01  -0.00  -0.01    -0.08   0.03   0.03
    12   1    -0.04  -0.03   0.02     0.07  -0.13  -0.08     0.03  -0.18  -0.06
    13   1    -0.04   0.00  -0.03     0.00   0.09   0.11    -0.03   0.12   0.09
    14   1     0.04  -0.07   0.02    -0.04   0.11  -0.03     0.01   0.06   0.20
    15   1    -0.03  -0.01  -0.06    -0.03  -0.07   0.07     0.05   0.06   0.18
    16   1     0.05  -0.07   0.15    -0.15   0.02   0.01    -0.00  -0.03  -0.04
    17   1    -0.00   0.03   0.01     0.02   0.17   0.02    -0.14  -0.05   0.03
    18   1    -0.10  -0.02   0.01    -0.11  -0.00  -0.04    -0.06   0.08  -0.06
    19   1     0.06   0.04  -0.03     0.14   0.10   0.01    -0.06  -0.09  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1402.7396              1406.8571              1413.4348
 Red. masses --      1.3086                 1.2435                 1.5704
 Frc consts  --      1.5171                 1.4501                 1.8485
 IR Inten    --      8.6364                 5.8646               418.8900
 RamAct Fr= 1--      1.6546                 0.2320                 2.9385
  Dep-P Fr= 1--      0.5883                 0.5150                 0.2554
  Dep-U Fr= 1--      0.7408                 0.6798                 0.4069
 Alpha2 Fr= 1--      0.0050                 0.0011                 0.0343
 Beta2  Fr= 1--      0.2043                 0.0263                 0.1993
 AlphaG Fr= 1--     -0.0035                 0.0004                -0.0255
 Gamma2 Fr= 1--      1.3006                 0.0367                -0.0013
 Delta2 Fr= 1--      0.5026                 0.0183                -0.0552
 Raman1 Fr= 1--       6.619                  0.928                 11.754
 ROA1   Fr= 1--     140.939                  4.108                 -1.888
 CID1   Fr= 1--      21.295                  4.426                 -0.161
 Raman2 Fr= 1--       2.451                  0.315                  2.391
 ROA2   Fr= 1--      27.194                  0.734                  0.411
 CID2   Fr= 1--      11.093                  2.326                  0.172
 Raman3 Fr= 1--       4.903                  0.631                  4.782
 ROA3   Fr= 1--     140.939                  4.108                 -1.888
 CID3   Fr= 1--      28.746                  6.510                 -0.395
 RC180  Fr= 1--       0.482                  0.360                 -0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.09  -0.04   0.04    -0.02  -0.01   0.01
     2   6     0.01  -0.02   0.07     0.01   0.01  -0.02     0.00   0.01  -0.01
     3   6    -0.02  -0.12   0.00    -0.01  -0.03   0.01    -0.05  -0.01   0.02
     4   6     0.02  -0.01   0.00    -0.01   0.00   0.01     0.14  -0.04  -0.06
     5   8    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.11  -0.01   0.03
     6   6     0.01   0.02   0.01     0.00  -0.03   0.09    -0.00  -0.00  -0.01
     7   7     0.01   0.03  -0.05     0.00   0.00  -0.01     0.01   0.02  -0.00
     8   8     0.00   0.01   0.00     0.00  -0.01  -0.00    -0.02   0.05   0.02
     9   1    -0.01   0.75   0.20     0.06   0.13   0.04     0.06   0.00   0.02
    10   1    -0.18   0.23  -0.29    -0.05  -0.02   0.05     0.00  -0.02   0.04
    11   1    -0.02   0.01  -0.00    -0.10   0.04   0.04     0.81  -0.30  -0.38
    12   1     0.06  -0.22  -0.10     0.02  -0.05  -0.02    -0.01  -0.08  -0.00
    13   1    -0.04   0.21   0.17    -0.01   0.06   0.06     0.01  -0.00  -0.02
    14   1    -0.01  -0.02  -0.08    -0.18   0.04  -0.34     0.01   0.01   0.04
    15   1    -0.02  -0.02  -0.07     0.12   0.03  -0.33     0.00   0.01   0.04
    16   1    -0.01   0.02  -0.00     0.04   0.23  -0.29     0.00  -0.03   0.04
    17   1    -0.10  -0.03  -0.02     0.39   0.13   0.04     0.10   0.03   0.01
    18   1    -0.09  -0.04   0.11     0.34   0.05  -0.25     0.10   0.01  -0.07
    19   1    -0.07  -0.07   0.11     0.24   0.29  -0.19     0.08   0.10  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2035              1487.3043              1498.4209
 Red. masses --      1.2454                 1.0441                 1.0504
 Frc consts  --      1.4967                 1.3607                 1.3895
 IR Inten    --     10.8866                 0.3416                 3.6108
 RamAct Fr= 1--      0.6283                 8.5245                 1.9112
  Dep-P Fr= 1--      0.1066                 0.7482                 0.7051
  Dep-U Fr= 1--      0.1926                 0.8560                 0.8271
 Alpha2 Fr= 1--      0.0108                 0.0003                 0.0015
 Beta2  Fr= 1--      0.0202                 1.2161                 0.2635
 AlphaG Fr= 1--     -0.0049                 0.0054                -0.0002
 Gamma2 Fr= 1--      0.0853                -0.0285                 0.3312
 Delta2 Fr= 1--      0.1045                 0.1383                -0.0966
 Raman1 Fr= 1--       2.513                 34.098                  7.645
 ROA1   Fr= 1--      11.535                  1.693                 28.708
 CID1   Fr= 1--       4.589                  0.050                  3.755
 Raman2 Fr= 1--       0.242                 14.593                  3.161
 ROA2   Fr= 1--       1.212                 -1.790                  8.722
 CID2   Fr= 1--       5.009                 -0.123                  2.759
 Raman3 Fr= 1--       0.484                 29.187                  6.323
 ROA3   Fr= 1--      11.535                  1.693                 28.708
 CID3   Fr= 1--      23.830                  0.058                  4.540
 RC180  Fr= 1--      -0.615                  0.712                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03   0.02     0.02  -0.03  -0.00    -0.01  -0.01  -0.04
     2   6     0.01  -0.00   0.02    -0.01  -0.00   0.00     0.02   0.00  -0.03
     3   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.02   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.03  -0.10    -0.03   0.03   0.01     0.03   0.01   0.01
     7   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   8     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.07   0.14   0.03    -0.01   0.01   0.00     0.05  -0.04  -0.01
    10   1    -0.06   0.07  -0.06    -0.01  -0.02   0.03    -0.05  -0.04   0.06
    11   1    -0.13   0.05   0.06     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    12   1    -0.01   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.00
    13   1    -0.02   0.04   0.02    -0.00  -0.01  -0.02     0.00   0.01   0.03
    14   1     0.20  -0.05   0.39     0.13  -0.43  -0.21     0.09  -0.02   0.17
    15   1    -0.11  -0.00   0.38    -0.12  -0.05   0.27    -0.17  -0.25  -0.18
    16   1    -0.01  -0.28   0.33     0.41   0.04  -0.16    -0.33   0.14  -0.07
    17   1     0.33   0.10   0.02    -0.12   0.45   0.12    -0.37   0.15   0.03
    18   1     0.32  -0.01  -0.16     0.00   0.19  -0.34     0.40  -0.15   0.06
    19   1     0.20   0.27  -0.10    -0.11  -0.12   0.24     0.09   0.23   0.53
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1508.9627              1512.1789              1656.6973
 Red. masses --      1.0588                 1.0417                 1.0924
 Frc consts  --      1.4204                 1.4034                 1.7666
 IR Inten    --      7.9895                11.2712                30.6669
 RamAct Fr= 1--      2.4132                 7.9710                 3.2494
  Dep-P Fr= 1--      0.6873                 0.7258                 0.6227
  Dep-U Fr= 1--      0.8147                 0.8411                 0.7675
 Alpha2 Fr= 1--      0.0027                 0.0033                 0.0076
 Beta2  Fr= 1--      0.3277                 1.1174                 0.4156
 AlphaG Fr= 1--     -0.0015                -0.0014                 0.0005
 Gamma2 Fr= 1--     -0.5751                -0.4861                 0.1565
 Delta2 Fr= 1--     -0.3961                 0.0805                -0.0075
 Raman1 Fr= 1--       9.653                 31.884                 12.997
 ROA1   Fr= 1--     -67.891                -44.093                 14.787
 CID1   Fr= 1--      -7.033                 -1.383                  1.138
 Raman2 Fr= 1--       3.932                 13.409                  4.988
 ROA2   Fr= 1--     -10.634                -12.311                  3.817
 CID2   Fr= 1--      -2.705                 -0.918                  0.765
 Raman3 Fr= 1--       7.864                 26.818                  9.975
 ROA3   Fr= 1--     -67.891                -44.093                 14.787
 CID3   Fr= 1--      -8.633                 -1.644                  1.482
 RC180  Fr= 1--       0.629                  0.682                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.02     0.00  -0.01  -0.02     0.00   0.00   0.00
     2   6     0.04  -0.03   0.02    -0.02  -0.02  -0.01     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
     5   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.02  -0.01  -0.01    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.01   0.00  -0.01     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    10   1    -0.07   0.04  -0.06    -0.01  -0.00  -0.05    -0.01  -0.00   0.01
    11   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.02  -0.01  -0.02
    12   1    -0.00   0.02   0.00    -0.02   0.01   0.02     0.30   0.63  -0.11
    13   1     0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.29   0.22   0.59
    14   1    -0.08   0.33   0.22    -0.26   0.34  -0.16    -0.00  -0.01  -0.01
    15   1     0.07   0.00  -0.26     0.39   0.46   0.08     0.01   0.02   0.02
    16   1    -0.37  -0.03   0.14     0.26  -0.25   0.23     0.04  -0.02   0.01
    17   1     0.07   0.44   0.11    -0.23   0.12   0.03    -0.00  -0.01   0.00
    18   1    -0.17   0.28  -0.41     0.21  -0.06  -0.00    -0.01   0.00   0.00
    19   1    -0.20  -0.27   0.01     0.04   0.11   0.32    -0.00  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1835.0240              3020.2286              3024.9985
 Red. masses --      9.7076                 1.0425                 1.0395
 Frc consts  --     19.2594                 5.6028                 5.6044
 IR Inten    --    289.7659                24.7714                26.6826
 RamAct Fr= 1--     11.4498                33.2526               254.2125
  Dep-P Fr= 1--      0.2594                 0.0658                 0.0054
  Dep-U Fr= 1--      0.4119                 0.1235                 0.0107
 Alpha2 Fr= 1--      0.1322                 0.6325                 5.5789
 Beta2  Fr= 1--      0.7861                 0.6845                 0.4516
 AlphaG Fr= 1--      0.1384                 0.1051                 0.1817
 Gamma2 Fr= 1--      1.2940                 0.1804                -0.1157
 Delta2 Fr= 1--      0.4700                -0.2016                 0.4585
 Raman1 Fr= 1--      45.799                133.011               1016.850
 ROA1   Fr= 1--     139.266                 10.865                  3.560
 CID1   Fr= 1--       3.041                  0.082                  0.004
 Raman2 Fr= 1--       9.433                  8.214                  5.420
 ROA2   Fr= 1--      27.297                  5.941                 -6.445
 CID2   Fr= 1--       2.894                  0.723                 -1.189
 Raman3 Fr= 1--      18.866                 16.427                 10.839
 ROA3   Fr= 1--     139.266                 10.865                  3.560
 CID3   Fr= 1--       7.382                  0.661                  0.328
 RC180  Fr= 1--      -0.176                 -0.753                 -0.979
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.01  -0.01    -0.03  -0.03   0.01
     2   6    -0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
     3   6    -0.02  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6     0.13   0.68   0.19     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.04  -0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00  -0.01  -0.02
     7   7    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.08  -0.42  -0.12     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.02   0.04   0.01    -0.00  -0.01   0.03    -0.00  -0.02   0.11
    10   1     0.06   0.01   0.01    -0.01  -0.07  -0.04    -0.02  -0.10  -0.07
    11   1     0.47  -0.11  -0.20     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   1     0.02  -0.02  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1     0.01   0.01   0.04    -0.30  -0.16   0.10    -0.12  -0.07   0.04
    15   1    -0.01  -0.01   0.01     0.24  -0.22   0.03     0.09  -0.09   0.01
    16   1    -0.03   0.01   0.00     0.14   0.61   0.44     0.06   0.27   0.19
    17   1    -0.01  -0.00   0.00     0.02  -0.05   0.23    -0.03   0.11  -0.50
    18   1    -0.02  -0.00   0.01    -0.05  -0.23  -0.14     0.12   0.53   0.33
    19   1     0.02   0.02  -0.01    -0.14   0.12  -0.03     0.29  -0.26   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3040.3171              3059.6231              3079.7860
 Red. masses --      1.0826                 1.0838                 1.0954
 Frc consts  --      5.8959                 5.9777                 6.1215
 IR Inten    --      8.3639                 1.0313                14.2890
 RamAct Fr= 1--    106.4913                70.8358                28.5485
  Dep-P Fr= 1--      0.1441                 0.7105                 0.6227
  Dep-U Fr= 1--      0.2519                 0.8308                 0.7675
 Alpha2 Fr= 1--      1.6710                 0.0485                 0.0663
 Beta2  Fr= 1--      4.4707                 9.8078                 3.6519
 AlphaG Fr= 1--     -0.1963                -0.1080                 0.0078
 Gamma2 Fr= 1--      1.8754               -11.2362                 9.0354
 Delta2 Fr= 1--      1.9887                -7.2488                 9.2496
 Raman1 Fr= 1--     425.965                283.343                114.194
 ROA1   Fr= 1--     243.675              -1310.632               1163.385
 CID1   Fr= 1--       0.572                 -4.626                 10.188
 Raman2 Fr= 1--      53.648                117.694                 43.823
 ROA2   Fr= 1--      29.100               -211.677                142.852
 CID2   Fr= 1--       0.542                 -1.799                  3.260
 Raman3 Fr= 1--     107.297                235.387                 87.646
 ROA3   Fr= 1--     243.675              -1310.632               1163.385
 CID3   Fr= 1--       2.271                 -5.568                 13.274
 RC180  Fr= 1--      -0.496                  0.662                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.04  -0.05
     2   6     0.00   0.01   0.00    -0.01  -0.06  -0.04    -0.00  -0.01  -0.00
     3   6     0.00   0.02  -0.08     0.00   0.00  -0.01     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.01     0.00   0.02  -0.00    -0.00   0.06   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.02  -0.21   0.96    -0.00  -0.02   0.10     0.00  -0.00   0.02
    10   1    -0.02  -0.08  -0.05     0.13   0.70   0.44     0.02   0.08   0.05
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.04   0.02  -0.01    -0.17  -0.08   0.06    -0.30  -0.14   0.11
    15   1    -0.03   0.02  -0.00     0.18  -0.15   0.03     0.39  -0.32   0.07
    16   1    -0.01  -0.06  -0.04    -0.01  -0.05  -0.04    -0.07  -0.27  -0.20
    17   1     0.00  -0.01   0.05    -0.02   0.07  -0.28     0.03  -0.11   0.42
    18   1    -0.01  -0.06  -0.03    -0.05  -0.21  -0.13     0.10   0.43   0.25
    19   1    -0.05   0.04  -0.01     0.13  -0.11   0.03    -0.16   0.12  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8254              3096.3625              3107.9720
 Red. masses --      1.0959                 1.0996                 1.1023
 Frc consts  --      6.1605                 6.2112                 6.2733
 IR Inten    --     38.5373                34.1554                20.3724
 RamAct Fr= 1--     69.1895                96.6871                65.0498
  Dep-P Fr= 1--      0.1769                 0.4785                 0.7443
  Dep-U Fr= 1--      0.3007                 0.6473                 0.8534
 Alpha2 Fr= 1--      0.9982                 0.5260                 0.0063
 Beta2  Fr= 1--      3.4674                10.4312                 9.2521
 AlphaG Fr= 1--     -0.1084                -0.2400                -0.0116
 Gamma2 Fr= 1--     -0.6377                 3.2007                -3.6030
 Delta2 Fr= 1--     -3.8355                 3.1201                -2.8924
 Raman1 Fr= 1--     276.758                386.749                260.199
 ROA1   Fr= 1--    -183.953                407.105               -438.440
 CID1   Fr= 1--      -0.665                  1.053                 -1.685
 Raman2 Fr= 1--      41.609                125.175                111.025
 ROA2   Fr= 1--      15.380                 51.855                -63.332
 CID2   Fr= 1--       0.370                  0.414                 -0.570
 Raman3 Fr= 1--      83.219                250.349                222.049
 ROA3   Fr= 1--    -183.953                407.105               -438.440
 CID3   Fr= 1--      -2.210                  1.626                 -1.975
 RC180  Fr= 1--      -0.399                  0.295                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.06    -0.05   0.07  -0.03    -0.00   0.01  -0.00
     2   6    -0.01  -0.03  -0.02     0.00   0.02   0.01    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.01   0.02   0.00    -0.09  -0.00   0.01
     7   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.08   0.38   0.24    -0.03  -0.17  -0.10     0.00   0.01   0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.22   0.10  -0.08    -0.14  -0.07   0.05     0.65   0.34  -0.24
    15   1    -0.32   0.27  -0.06     0.08  -0.06   0.02     0.45  -0.41   0.08
    16   1     0.07   0.27   0.21    -0.02  -0.10  -0.08    -0.00   0.08   0.06
    17   1     0.02  -0.12   0.50     0.01  -0.07   0.36     0.00  -0.01   0.03
    18   1     0.07   0.31   0.17    -0.06  -0.19  -0.13    -0.00  -0.01  -0.01
    19   1     0.11  -0.10   0.01     0.64  -0.53   0.11     0.06  -0.05   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3432.5393              3510.7421              3594.0943
 Red. masses --      1.0642                 1.0504                 1.0928
 Frc consts  --      7.3873                 7.6282                 8.3172
 IR Inten    --    250.5299                 0.5864                12.4136
 RamAct Fr= 1--     57.9293                70.9920                40.9713
  Dep-P Fr= 1--      0.0822                 0.0599                 0.5454
  Dep-U Fr= 1--      0.1519                 0.1130                 0.7058
 Alpha2 Fr= 1--      1.0592                 1.3696                 0.1607
 Beta2  Fr= 1--      1.4663                 1.3369                 4.8199
 AlphaG Fr= 1--      0.2594                -0.0923                 0.0960
 Gamma2 Fr= 1--     -0.3501                 3.2047                -1.3865
 Delta2 Fr= 1--      0.5395                 0.4985                -1.0826
 Raman1 Fr= 1--     231.717                283.968                163.885
 ROA1   Fr= 1--     -16.347                323.607               -167.745
 CID1   Fr= 1--      -0.071                  1.140                 -1.024
 Raman2 Fr= 1--      17.595                 16.042                 57.838
 ROA2   Fr= 1--     -12.719                 72.926                -24.615
 CID2   Fr= 1--      -0.723                  4.546                 -0.426
 Raman3 Fr= 1--      35.190                 32.085                115.677
 ROA3   Fr= 1--     -16.347                323.607               -167.745
 CID3   Fr= 1--      -0.465                 10.086                 -1.450
 RC180  Fr= 1--      -0.696                 -0.774                  0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.05  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   7    -0.00  -0.00  -0.00    -0.04  -0.02  -0.03    -0.01  -0.05   0.06
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.02
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.35   0.91   0.20    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    12   1     0.03  -0.01   0.06     0.35  -0.07   0.76    -0.25   0.03  -0.47
    13   1     0.03   0.04  -0.04     0.22   0.40  -0.30     0.38   0.61  -0.44
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   592.539251224.836551436.89018
           X            0.99977  -0.02100  -0.00368
           Y            0.02078   0.99844  -0.05181
           Z            0.00476   0.05173   0.99865
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14617     0.07071     0.06028
 Rotational constants (GHZ):           3.04577     1.47345     1.25600
 Zero-point vibrational energy     432526.0 (Joules/Mol)
                                  103.37620 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     81.56   119.73   265.33   322.19   354.79
          (Kelvin)            389.51   420.28   448.23   522.97   595.48
                              748.56   784.24   874.90  1056.07  1166.44
                             1209.00  1261.34  1296.40  1349.27  1397.44
                             1437.17  1491.90  1562.22  1673.39  1726.68
                             1733.18  1753.02  1846.04  1948.53  1971.73
                             2018.23  2024.15  2033.62  2054.87  2139.90
                             2155.89  2171.06  2175.69  2383.62  2640.19
                             4345.44  4352.30  4374.34  4402.12  4431.13
                             4444.13  4454.98  4471.68  4938.66  5051.17
                             5171.10
 
 Zero-point correction=                           0.164740 (Hartree/Particle)
 Thermal correction to Energy=                    0.173945
 Thermal correction to Enthalpy=                  0.174889
 Thermal correction to Gibbs Free Energy=         0.130814
 Sum of electronic and zero-point Energies=           -402.407876
 Sum of electronic and thermal Energies=              -402.398672
 Sum of electronic and thermal Enthalpies=            -402.397727
 Sum of electronic and thermal Free Energies=         -402.441803
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.152             33.640             92.764
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.435
 Vibrational            107.374             27.678             24.141
 Vibration     1          0.596              1.975              4.569
 Vibration     2          0.600              1.961              3.814
 Vibration     3          0.631              1.861              2.283
 Vibration     4          0.649              1.805              1.927
 Vibration     5          0.661              1.768              1.755
 Vibration     6          0.674              1.727              1.592
 Vibration     7          0.687              1.688              1.462
 Vibration     8          0.700              1.652              1.354
 Vibration     9          0.737              1.547              1.107
 Vibration    10          0.777              1.440              0.913
 Vibration    11          0.875              1.205              0.609
 Vibration    12          0.900              1.150              0.554
 Vibration    13          0.967              1.015              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.676033D-60        -60.170032       -138.546620
 Total V=0       0.402948D+16         15.605249         35.932415
 Vib (Bot)       0.371399D-73        -73.430160       -169.079191
 Vib (Bot)    1  0.364411D+01          0.561592          1.293113
 Vib (Bot)    2  0.247351D+01          0.393314          0.905638
 Vib (Bot)    3  0.108744D+01          0.036404          0.083822
 Vib (Bot)    4  0.881852D+00         -0.054604         -0.125731
 Vib (Bot)    5  0.792745D+00         -0.100867         -0.232254
 Vib (Bot)    6  0.713606D+00         -0.146542         -0.337424
 Vib (Bot)    7  0.653910D+00         -0.184482         -0.424786
 Vib (Bot)    8  0.606423D+00         -0.217224         -0.500178
 Vib (Bot)    9  0.503089D+00         -0.298355         -0.686988
 Vib (Bot)   10  0.426228D+00         -0.370358         -0.852782
 Vib (Bot)   11  0.310171D+00         -0.508399         -1.170631
 Vib (Bot)   12  0.289267D+00         -0.538701         -1.240405
 Vib (Bot)   13  0.243510D+00         -0.613482         -1.412595
 Vib (V=0)       0.221372D+03          2.345122          5.399843
 Vib (V=0)    1  0.417826D+01          0.620995          1.429894
 Vib (V=0)    2  0.302354D+01          0.480516          1.106428
 Vib (V=0)    3  0.169688D+01          0.229651          0.528790
 Vib (V=0)    4  0.151374D+01          0.180050          0.414581
 Vib (V=0)    5  0.143725D+01          0.157533          0.362734
 Vib (V=0)    6  0.137134D+01          0.137145          0.315788
 Vib (V=0)    7  0.132316D+01          0.121614          0.280025
 Vib (V=0)    8  0.128597D+01          0.109231          0.251513
 Vib (V=0)    9  0.120929D+01          0.082532          0.190037
 Vib (V=0)   10  0.115702D+01          0.063339          0.145844
 Vib (V=0)   11  0.108839D+01          0.036786          0.084702
 Vib (V=0)   12  0.107765D+01          0.032476          0.074779
 Vib (V=0)   13  0.105615D+01          0.023724          0.054626
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.365557D+06          5.562955         12.809177
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3       33333333                                         1     1 1111111111 11111  1 1                                    
     5  5  4       10000000                                         8     6 5544444433 22221  0 0999 9888  7   6 55   4 3322221      
     9  1  3       09886422                                         3     5 1098210075 81006  8 3973 0741  3   0 42   1 6197428  85  
     4  1  3       86900050                                         5     7 2987837304 38503  6 7918 1701  4   8 50   4 3221744  37  
 
     X  X  X       XXXXXXXX                                         X     X XXXXXXXXXX XXXXX  X XXXX XXXX  X   X XX   X XXXXXXX  XX  
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           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015325   -0.000004427    0.000005460
      2        6           0.000011094   -0.000005694    0.000009687
      3        6          -0.000019417   -0.000006989    0.000032086
      4        6           0.000056109    0.000002611   -0.000022541
      5        8          -0.000023973    0.000023698    0.000014541
      6        6           0.000010779    0.000014654   -0.000015470
      7        7          -0.000001345    0.000007251   -0.000005182
      8        8          -0.000013696    0.000007950    0.000012184
      9        1           0.000003608    0.000014301    0.000000578
     10        1           0.000003217   -0.000004792   -0.000010989
     11        1          -0.000002930   -0.000027696   -0.000005252
     12        1           0.000002088   -0.000010682   -0.000013350
     13        1           0.000000380   -0.000004749   -0.000001735
     14        1          -0.000000278    0.000000118    0.000001144
     15        1          -0.000007111   -0.000003138   -0.000002317
     16        1           0.000000880   -0.000000492   -0.000003591
     17        1          -0.000001770   -0.000004311    0.000003105
     18        1          -0.000000908    0.000001860   -0.000001180
     19        1          -0.000001402    0.000000528    0.000002821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056109 RMS     0.000013029
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.847483D+02 -0.155587D+00 -0.184090D+01
      2  -0.155587D+00  0.794411D+02  0.144824D+01
      3  -0.184090D+01  0.144824D+01  0.698836D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.684642D+00 -0.203607D+00  0.121441D+01
      2   0.230528D+01 -0.777052D+01  0.334510D+02
      3   0.548136D+01 -0.174151D+02  0.813650D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.724169D+02 -0.736757D+01 -0.180407D+01
      2  -0.412654D+02  0.697005D+01 -0.152558D+00
      3  -0.311514D+02  0.397522D+00  0.195662D+01
      4  -0.622979D+01  0.372396D+02 -0.205210D+02
      5   0.545670D+01 -0.224393D+02  0.721770D+02
      6  -0.910554D+01  0.715234D+01 -0.198806D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114568D+01  0.394519D+01 -0.217718D+01  0.460166D+01 -0.294389D+01
      2   0.394519D+01 -0.251350D+01 -0.990127D+00 -0.294389D+01 -0.220212D+01
      3  -0.217718D+01 -0.990127D+00  0.536616D+00 -0.908007D+00 -0.211204D+01
                 6             7             8             9            10 
      1  -0.908007D+00 -0.247190D+01 -0.574433D+00 -0.320619D+00  0.192822D+01
      2  -0.211204D+01 -0.574433D+00 -0.214924D+01 -0.292778D+01 -0.366019D+01
      3  -0.268765D+01 -0.320619D+00 -0.292778D+01  0.613948D+01  0.258930D+01
                11            12            13            14            15 
      1  -0.366019D+01  0.258930D+01 -0.464840D+01  0.183503D+01  0.974034D+00
      2   0.191504D+01  0.107698D+01  0.183503D+01  0.256675D+01  0.239927D+01
      3   0.107698D+01 -0.246857D+00  0.974034D+00  0.239927D+01  0.320408D+01
                16            17            18            19            20 
      1   0.299452D+01  0.747968D+00 -0.119577D+00 -0.985789D+00  0.354349D+01
      2   0.747968D+00  0.222200D+01  0.352981D+01  0.354349D+01 -0.759535D+00
      3  -0.119577D+00  0.352981D+01 -0.376576D+01 -0.629317D+00 -0.172129D+00
                21            22            23            24            25 
      1  -0.629317D+00  0.437148D+01  0.108371D+00  0.249182D+00 -0.704399D+00
      2  -0.172129D+00  0.108371D+00 -0.166679D+01 -0.102288D+01  0.728025D+00
      3   0.368572D-01  0.249182D+00 -0.102288D+01 -0.129175D+01  0.526649D-01
                26            27            28            29            30 
      1   0.728025D+00  0.526649D-01 -0.193103D+01 -0.201546D+01 -0.551666D-01
      2  -0.981084D+00 -0.216850D+01 -0.201546D+01  0.359706D+00  0.617816D+00
      3  -0.216850D+01  0.562454D+01 -0.551666D-01  0.617816D+00 -0.157851D+00
                31            32            33            34            35 
      1  -0.351021D+00  0.108198D+01  0.782908D+00  0.272426D+00  0.872509D+00
      2   0.108198D+01  0.501279D+01  0.156871D+01  0.872509D+00  0.190512D+01
      3   0.782908D+00  0.156871D+01  0.924954D+00  0.209893D+00  0.797832D+00
                36            37            38            39            40 
      1   0.209893D+00 -0.785011D+01  0.114100D+01  0.142425D+01 -0.231104D+01
      2   0.797832D+00  0.114100D+01 -0.203348D+01 -0.531604D+00 -0.326027D+01
      3   0.540418D-01  0.142425D+01 -0.531604D+00 -0.106261D+01 -0.587550D-01
                41            42            43            44            45 
      1  -0.326027D+01 -0.587550D-01  0.116918D+01 -0.618375D+00 -0.183231D+01
      2  -0.118648D+01 -0.195603D+00 -0.618375D+00 -0.591389D+00  0.689404D+00
      3  -0.195603D+00 -0.603050D-01 -0.183231D+01  0.689404D+00  0.187065D+01
                46            47            48            49            50 
      1   0.244825D+00  0.486675D+01 -0.303241D+01  0.481971D+01 -0.217546D+01
      2   0.486675D+01 -0.230185D+01 -0.652632D+00 -0.217546D+01 -0.163570D+00
      3  -0.303241D+01 -0.652632D+00  0.244252D+00 -0.753640D+00 -0.303894D+01
                51            52            53            54            55 
      1  -0.753640D+00 -0.237549D+01 -0.772281D+00  0.270420D+00 -0.835585D+00
      2  -0.303894D+01 -0.772281D+00 -0.246857D+01 -0.304547D+01 -0.962888D+00
      3  -0.244366D+01  0.270420D+00 -0.304547D+01  0.230122D+01 -0.111057D+00
                56            57            58            59            60 
      1  -0.962888D+00 -0.111057D+00 -0.931772D+00 -0.272183D+01  0.247955D+00
      2  -0.275427D+01  0.313205D+00 -0.272183D+01  0.247421D+01  0.205310D+01
      3   0.313205D+00 -0.202206D+01  0.247955D+00  0.205310D+01  0.122906D+00
                61            62            63            64            65 
      1   0.289164D-02  0.449207D+00 -0.229773D+01 -0.161977D+01 -0.284043D+01
      2   0.449207D+00  0.225604D+01  0.528858D+00 -0.284043D+01 -0.197381D+01
      3  -0.229773D+01  0.528858D+00 -0.211254D+01 -0.971620D+00 -0.856734D+00
                66            67            68            69            70 
      1  -0.971620D+00 -0.410136D+01 -0.214593D+01 -0.665741D+00 -0.131108D+01
      2  -0.856734D+00 -0.214593D+01 -0.116643D+02 -0.229671D+01 -0.584948D+00
      3  -0.510467D+00 -0.665741D+00 -0.229671D+01 -0.272585D+01 -0.102643D+01
                71            72            73            74            75 
      1  -0.584948D+00 -0.102643D+01  0.288880D+00 -0.245792D+00 -0.117902D+01
      2  -0.179051D+01 -0.318741D+01 -0.245792D+00  0.767947D-01  0.673560D-01
      3  -0.318741D+01 -0.250050D+01 -0.117902D+01  0.673560D-01 -0.926454D-01
                76            77            78            79            80 
      1  -0.539874D+00 -0.790934D-01  0.159097D+00 -0.180203D+01 -0.676650D-01
      2  -0.790934D-01  0.148847D+01 -0.131502D+01 -0.676650D-01 -0.163168D+01
      3   0.159097D+00 -0.131502D+01  0.132281D+01 -0.237109D+00  0.179633D+01
                81            82            83            84            85 
      1  -0.237109D+00 -0.102816D+01 -0.459585D+00 -0.111774D+01 -0.897842D+00
      2   0.179633D+01 -0.459585D+00 -0.315336D+00 -0.771454D-01 -0.460675D+00
      3  -0.790026D+01 -0.111774D+01 -0.771454D-01 -0.172836D+00 -0.210192D+00
                86            87            88            89            90 
      1  -0.460675D+00 -0.210192D+00 -0.158196D+01 -0.211593D+00 -0.594454D-01
      2  -0.558986D+01 -0.227212D+01 -0.211593D+00 -0.226709D+01 -0.232048D+01
      3  -0.227212D+01 -0.254295D+01 -0.594454D-01 -0.232048D+01 -0.223221D+01
                91            92            93            94            95 
      1   0.139334D+01  0.183507D+01 -0.122615D-01  0.444608D+01  0.342965D+00
      2   0.183507D+01  0.518524D+00  0.201746D+00  0.342965D+00  0.400415D+01
      3  -0.122615D-01  0.201746D+00 -0.269249D+00 -0.373861D+00  0.918757D+00
                96            97            98            99           100 
      1  -0.373861D+00  0.635128D+00 -0.530496D-01 -0.696668D+00  0.551092D+00
      2   0.918757D+00 -0.530496D-01  0.853417D+00  0.582761D+00  0.345739D+00
      3   0.104789D+01 -0.696668D+00  0.582761D+00  0.795135D+00  0.105799D+01
               101           102           103           104           105 
      1   0.345739D+00  0.105799D+01  0.218499D+00  0.594739D+00  0.632559D-01
      2   0.102688D+01  0.346308D+00  0.594739D+00  0.255362D+00  0.760734D+00
      3   0.346308D+00  0.167243D+01  0.632559D-01  0.760734D+00  0.107422D+00
               106           107           108           109           110 
      1   0.205751D+01 -0.406137D-01  0.170960D+01  0.108726D+01  0.153949D+01
      2  -0.406137D-01  0.189931D+01  0.778009D+00  0.153949D+01  0.281935D+01
      3   0.170960D+01  0.778009D+00  0.471871D+01 -0.329437D+00 -0.510317D+00
               111           112           113           114           115 
      1  -0.329437D+00  0.212579D+01  0.217724D+01 -0.531569D+00 -0.102893D+01
      2  -0.510317D+00  0.217724D+01  0.575873D+01 -0.124036D+01 -0.818586D+00
      3   0.631904D+00 -0.531569D+00 -0.124036D+01  0.124038D+01  0.686582D+00
               116           117           118           119           120 
      1  -0.818586D+00  0.686582D+00 -0.501738D+01 -0.205214D+01  0.168436D+01
      2  -0.257570D+01  0.142136D+01 -0.205214D+01 -0.167960D+01  0.128644D+01
      3   0.142136D+01 -0.112773D+01  0.168436D+01  0.128644D+01 -0.262125D+01
               121           122           123           124           125 
      1  -0.205191D+01 -0.117526D+01  0.840159D+00  0.111583D+01  0.818644D+00
      2  -0.117526D+01 -0.217337D+01  0.153946D+01  0.818644D+00  0.111059D+01
      3   0.840159D+00  0.153946D+01 -0.109692D+01 -0.165942D+01 -0.795605D+00
               126           127           128           129           130 
      1  -0.165942D+01  0.472695D+01 -0.330640D+01  0.178888D+01 -0.314830D+01
      2  -0.795605D+00 -0.330640D+01  0.310988D+01 -0.111088D+01  0.287755D+01
      3   0.161804D+01  0.178888D+01 -0.111088D+01  0.171647D+01 -0.900319D+00
               131           132           133           134           135 
      1   0.287755D+01 -0.900319D+00  0.895522D+00 -0.566955D+00  0.115585D+01
      2  -0.422593D+01  0.178951D+01 -0.566955D+00  0.103269D+01 -0.860083D+00
      3   0.178951D+01 -0.124768D+01  0.115585D+01 -0.860083D+00  0.802299D+00
               136           137           138           139           140 
      1   0.811286D+00  0.266895D+00  0.126400D+01  0.857349D+00  0.562183D+00
      2   0.266895D+00  0.797566D+00  0.440135D+00  0.562183D+00  0.341377D+01
      3   0.126400D+01  0.440135D+00  0.968024D+00  0.729657D+00  0.197246D+01
               141           142           143           144           145 
      1   0.729657D+00  0.113942D+01  0.333837D+00  0.753634D+00  0.226117D+00
      2   0.197246D+01  0.333837D+00  0.191713D+01  0.195743D+01 -0.643244D-01
      3   0.337452D+01  0.753634D+00  0.195743D+01  0.409389D+01 -0.998443D+00
               146           147           148           149           150 
      1  -0.643244D-01 -0.998443D+00 -0.814507D-01  0.639695D+00 -0.242261D+00
      2   0.121822D+00  0.754462D-01  0.639695D+00  0.110160D+01 -0.128538D+01
      3   0.754462D-01  0.798313D-01 -0.242261D+00 -0.128538D+01  0.167816D+01
               151           152           153           154           155 
      1  -0.195015D+01 -0.305492D+00  0.168090D+01  0.140128D+01  0.108208D+01
      2  -0.305492D+00 -0.138759D+01  0.193028D+01  0.108208D+01  0.141361D+01
      3   0.168090D+01  0.193028D+01 -0.902606D+01  0.822099D+00  0.416630D+00
               156           157           158           159           160 
      1   0.822099D+00  0.216619D+01  0.204094D+01  0.297428D+00  0.187906D+01
      2   0.416630D+00  0.204094D+01  0.525805D+01  0.148565D+01  0.759216D+00
      3   0.322688D+00  0.297428D+00  0.148565D+01  0.177942D+01  0.592182D+00
               161           162           163           164           165 
      1   0.759216D+00  0.592182D+00  0.775425D+01 -0.295851D+01 -0.172368D-01
      2   0.215821D+01  0.162241D+01 -0.295851D+01  0.217220D+01  0.595071D-01
      3   0.162241D+01  0.107554D+01 -0.172368D-01  0.595071D-01  0.946758D+00
               166           167           168           169           170 
      1  -0.454379D+01  0.270170D+01  0.300668D+00  0.106445D+01 -0.954141D-01
      2   0.270170D+01 -0.246152D+01  0.291404D+00 -0.954141D-01  0.488359D+00
      3   0.300668D+00  0.291404D+00 -0.705766D+00  0.113757D+01 -0.329148D+00
               171 
      1   0.113757D+01
      2  -0.329148D+00
      3  -0.428491D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.300695D+01  0.240461D+01  0.981860D+00  0.300472D+01  0.237342D+01
      2  -0.736789D+01  0.660792D+00  0.118994D+01  0.154546D+01 -0.860186D+01
      3  -0.120845D+02  0.606778D+01  0.298575D+01  0.131755D+02  0.724732D+01
                 6             7             8             9            10 
      1   0.276804D+00  0.183712D+01  0.455620D+01  0.142029D+00  0.324182D+01
      2  -0.862637D+01 -0.702159D+01 -0.926757D+01  0.176217D+02  0.678692D+01
      3   0.536003D+01  0.109500D+01  0.654472D+01  0.809365D+01  0.474296D+01
                11            12            13            14            15 
      1  -0.596465D+00 -0.116125D+00 -0.438350D+00  0.307285D+01 -0.286575D+01
      2  -0.107880D+01  0.411242D+01 -0.180330D+01  0.415205D+01  0.363550D+01
      3  -0.329327D+01 -0.155698D+01  0.396191D+01 -0.598973D+01 -0.509737D+01
                16            17            18            19            20 
      1  -0.130969D+00  0.404523D+01 -0.285636D+01 -0.354723D+01  0.785685D+00
      2  -0.389562D+01  0.410642D+01 -0.357582D+01 -0.113854D+01  0.146140D+01
      3  -0.209689D+01 -0.428137D+01 -0.420140D+01  0.135016D+01 -0.456910D+01
                21            22            23            24            25 
      1  -0.113664D+01  0.350315D+00  0.651775D+00  0.701692D+00 -0.178555D+01
      2   0.173375D+01  0.503172D+01 -0.210603D+01  0.257272D+01 -0.335457D+01
      3   0.712198D+00  0.211832D+01 -0.295857D+01  0.149388D+01 -0.861732D+00
                26            27            28            29            30 
      1   0.546512D+01  0.562139D+00  0.138402D+01  0.770189D+00  0.671760D+00
      2   0.124774D+01 -0.268317D+01 -0.562582D+01  0.389393D+00 -0.473576D+01
      3   0.111188D+01  0.430478D+00 -0.715969D+01 -0.189146D+00 -0.143566D+01
                31            32            33            34            35 
      1   0.274163D+01 -0.536697D+01  0.675787D+01  0.156988D+01  0.632142D+01
      2   0.540151D+01  0.346099D-01 -0.313203D+01 -0.171314D+02 -0.343884D+01
      3   0.275178D+00  0.118272D+02 -0.266281D+00 -0.355593D+01 -0.432738D+00
                36            37            38            39            40 
      1   0.505763D+01 -0.159508D+01 -0.242224D+01  0.206604D+01 -0.187026D+01
      2   0.299655D+01  0.699507D+00  0.240883D+01  0.841936D+01  0.181529D+01
      3   0.966824D+00 -0.409891D+01 -0.144438D+02 -0.123369D+01 -0.111888D+02
                41            42            43            44            45 
      1  -0.151779D+01 -0.363389D+01 -0.477124D-01  0.234370D+01 -0.136938D+01
      2   0.146429D+01  0.101965D+01  0.622454D+01  0.303006D+00 -0.515488D+01
      3  -0.967044D+01 -0.663509D+00 -0.157727D+00  0.260389D+00  0.124761D+01
                46            47            48            49            50 
      1   0.478907D+01 -0.471203D+01 -0.732898D+00 -0.438318D+01 -0.317367D+01
      2  -0.518851D+01 -0.976277D+01  0.962238D+01 -0.817632D+01 -0.105518D+01
      3  -0.775045D+01 -0.445105D+01  0.498206D+01 -0.334851D+00  0.315894D+01
                51            52            53            54            55 
      1  -0.125181D+02 -0.112835D+01 -0.663382D+01 -0.192981D+01  0.686899D+00
      2  -0.266271D+01  0.245061D+01 -0.283505D+01  0.175562D+01  0.478069D+00
      3   0.539777D+01  0.384814D+01  0.487494D+01  0.377877D+01 -0.273834D+01
                56            57            58            59            60 
      1  -0.315458D+01  0.605030D+01 -0.320028D+01 -0.675518D+01 -0.465702D+01
      2   0.166848D+01  0.609920D+01 -0.532548D+00  0.465324D+00 -0.139977D+01
      3  -0.995991D+01 -0.172592D+01  0.207997D+01 -0.316012D+01  0.184423D+01
                61            62            63            64            65 
      1   0.651084D+01  0.415547D+01  0.459884D+01  0.439457D+00  0.128809D+01
      2  -0.207896D+01 -0.986684D+00  0.206158D+01  0.115303D+01  0.215339D+00
      3   0.325066D+00  0.352095D+01 -0.568079D+01 -0.116263D+01 -0.441000D+01
                66            67            68            69            70 
      1  -0.237267D+01  0.576143D-02  0.490627D+01 -0.101274D+02 -0.464739D+00
      2   0.488198D+01 -0.560800D+01  0.173688D+01  0.556197D+01  0.804408D+00
      3  -0.503113D+00  0.900297D+01 -0.198597D+02 -0.220517D+01  0.139027D+01
                71            72            73            74            75 
      1   0.208329D+01 -0.202622D+01  0.717575D+00 -0.337747D+00  0.165509D+00
      2   0.591345D+01  0.295561D+01  0.119862D+01 -0.162957D-01 -0.156987D+00
      3  -0.233619D+01 -0.559873D+01  0.563531D+00 -0.328165D+00 -0.625365D+00
                76            77            78            79            80 
      1  -0.253592D+00 -0.161217D+01 -0.514263D+00  0.212775D+00  0.256934D+01
      2  -0.201617D+00  0.432303D+00 -0.373010D+00 -0.353126D+01 -0.363554D-01
      3   0.138446D+01  0.436413D+00 -0.267652D+00 -0.979428D+00 -0.539446D+00
                81            82            83            84            85 
      1   0.216007D+01 -0.894304D+00  0.119164D+00 -0.145767D+00 -0.115627D+00
      2   0.925158D+00 -0.252382D+01 -0.271797D+00 -0.122784D+00 -0.155531D+01
      3   0.184774D+00  0.218758D+01  0.620318D+00  0.119413D+01  0.435127D+01
                86            87            88            89            90 
      1   0.979302D+00 -0.303573D+01  0.398313D-02  0.553981D+00 -0.105010D+01
      2  -0.271676D+01 -0.294457D+01 -0.269257D+01 -0.263423D+01 -0.241662D+01
      3   0.766997D+01  0.338892D+01  0.238477D+01  0.321965D+01  0.318278D+01
                91            92            93            94            95 
      1   0.146872D+01  0.155978D+01  0.129760D+01  0.183668D+01  0.201380D+01
      2  -0.241473D+01 -0.204105D+01 -0.159003D+01 -0.231347D+01 -0.379474D+01
      3   0.633458D+01  0.838658D+01  0.619295D+00  0.118608D+02  0.153985D+02
                96            97            98            99           100 
      1  -0.412218D+00  0.120433D+01  0.159423D+01 -0.208890D+00 -0.297007D+01
      2  -0.340196D+01 -0.214625D+01 -0.209997D+01 -0.101361D+01 -0.182465D+01
      3   0.253989D+01  0.114454D+01  0.208338D+01  0.169408D+00  0.225953D+01
               101           102           103           104           105 
      1   0.104066D+01 -0.501073D+01  0.103151D+01 -0.216553D+01  0.343292D+00
      2   0.549621D-01 -0.935709D+00  0.319911D+00 -0.101048D+01  0.645104D+00
      3  -0.187874D+00  0.261925D+01  0.513770D+00  0.125155D+01 -0.285797D-02
               106           107           108           109           110 
      1  -0.539916D+01  0.129849D+01 -0.108392D+02  0.121006D+01  0.227099D+01
      2  -0.356743D+01  0.439789D+00 -0.205978D+01  0.283521D+00 -0.293794D+00
      3   0.515932D+01 -0.446568D+00  0.475854D+01  0.402505D+01  0.298095D+01
               111           112           113           114           115 
      1  -0.254809D+01  0.253798D+01  0.452975D+01 -0.394624D+01 -0.235760D+01
      2   0.138727D+00 -0.287901D+00 -0.383618D+00  0.471064D+00 -0.971780D+00
      3  -0.105279D+01  0.691454D+01  0.556260D+01 -0.179382D+01 -0.349945D+01
               116           117           118           119           120 
      1  -0.299042D+01  0.287224D+01 -0.189172D+01 -0.218570D+01 -0.172689D+01
      2   0.185079D+00 -0.232413D+00  0.122613D+02  0.464471D+01 -0.341917D+01
      3  -0.250852D+01  0.202814D+01  0.102103D+02  0.287813D+01 -0.288074D+01
               121           122           123           124           125 
      1  -0.130115D+01 -0.167609D+01  0.187731D+00 -0.818888D+00  0.216093D+01
      2   0.473962D+01  0.354779D+01 -0.198422D+01 -0.496966D+01 -0.228240D+01
      3   0.540673D+01  0.332352D+01 -0.273068D+01 -0.209602D+01 -0.166855D+01
               126           127           128           129           130 
      1   0.513506D+00 -0.311471D+01  0.419870D+01  0.147436D+01  0.342010D+01
      2   0.398915D+01 -0.491306D+01  0.328477D+01  0.200987D+01  0.422505D+01
      3   0.309795D+01 -0.131247D+01 -0.253224D+01 -0.126459D+00  0.140126D+01
               131           132           133           134           135 
      1  -0.425378D+01 -0.462004D+00  0.241456D+00  0.172395D+01 -0.322334D+00
      2  -0.172770D+01 -0.134083D+01 -0.116718D+01 -0.171021D-01 -0.301261D+00
      3   0.349891D+01 -0.165598D+01 -0.625325D+00 -0.111736D+01 -0.125112D+00
               136           137           138           139           140 
      1   0.180710D+01  0.189470D+01  0.140545D+01  0.112302D+01  0.109050D+02
      2   0.482993D+00  0.773738D-01  0.331475D+00 -0.160131D+01  0.238261D+01
      3  -0.633822D+00 -0.205233D+01 -0.167120D+01  0.555742D+00 -0.677560D+01
               141           142           143           144           145 
      1   0.503782D+01  0.134460D+01  0.783942D+01  0.668779D+01  0.176519D+00
      2   0.395865D+01 -0.232816D+01  0.208331D+01  0.446053D+01 -0.280968D+01
      3  -0.326842D+01 -0.781166D+00 -0.327277D+01 -0.343298D+01  0.243612D+00
               146           147           148           149           150 
      1   0.116843D-01 -0.100829D+00 -0.343065D+00 -0.138051D+01 -0.347856D+00
      2  -0.661081D-01  0.282245D+00 -0.171895D-01 -0.243707D+01  0.457924D+01
      3  -0.988131D+00 -0.255374D+00 -0.457471D+00 -0.302258D+01  0.307647D+01
               151           152           153           154           155 
      1  -0.111873D+00  0.342887D+01  0.817953D+00 -0.110566D+01 -0.124229D+01
      2  -0.833999D+00  0.492837D+01 -0.224572D+02  0.345452D+01  0.190297D+01
      3  -0.293181D+00  0.388703D+01 -0.504464D+01 -0.324385D+01 -0.424651D+01
               156           157           158           159           160 
      1  -0.948003D+00 -0.139266D+01 -0.414882D+01 -0.408342D+01 -0.791623D+00
      2   0.225309D+01  0.163558D+01  0.649259D+01  0.625771D+01  0.103743D+01
      3  -0.803973D+00 -0.225594D+01 -0.160867D+02 -0.492642D+01 -0.507355D+00
               161           162           163           164           165 
      1  -0.103606D+01 -0.231124D+01  0.220448D+01 -0.169321D+01  0.725777D+00
      2   0.528666D+01  0.408818D+01  0.608783D+01 -0.251584D+01  0.483299D+01
      3  -0.707237D+01 -0.468228D+01  0.834836D+01 -0.900593D+01  0.374295D-01
               166           167           168           169           170 
      1  -0.183318D+01  0.189570D+01 -0.164828D+01  0.304026D-01  0.244381D+00
      2  -0.261717D+01  0.312500D+01 -0.283614D+01  0.279820D+01 -0.815049D+00
      3  -0.639006D+01  0.806801D+01 -0.114568D+01  0.107082D+00 -0.182707D+01
               171 
      1   0.222499D+00
      2  -0.367137D-01
      3   0.827000D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.109892D+02  0.233145D+02 -0.109342D+02  0.280532D+02 -0.157854D+02
      2   0.277068D+01 -0.130803D+02  0.500571D+01 -0.155486D+02  0.216423D+01
      3   0.821856D+01 -0.102342D+02  0.592847D+01 -0.125046D+02  0.136212D+02
      4   0.248865D+02 -0.144046D+02 -0.484963D+01 -0.196068D+02 -0.109979D+02
      5  -0.966786D+01 -0.796776D+01  0.372888D+01 -0.945645D+01 -0.957107D+01
      6  -0.453369D+01  0.207996D+01  0.254072D+00  0.174709D+01 -0.859462D+00
                 6             7             8             9            10 
      1  -0.818048D+01 -0.141600D+02 -0.570445D+01  0.114034D+02 -0.544332D+01
      2  -0.280526D+01  0.387675D+01 -0.465791D+01  0.716579D+01  0.132029D+01
      3   0.109857D+02  0.102833D+02  0.103624D+02 -0.185691D+02  0.412303D+01
      4  -0.111648D+02 -0.392741D+01 -0.127551D+02 -0.123584D+02 -0.109119D+02
      5  -0.126882D+02  0.233820D+00 -0.131716D+02  0.264200D+02  0.985552D+01
      6  -0.426462D+00 -0.106053D+01 -0.561212D+00  0.566283D+01 -0.439459D+01
                11            12            13            14            15 
      1  -0.965142D+01  0.928016D+01 -0.131811D+02  0.100683D+02  0.652411D+01
      2   0.449521D+01 -0.636771D+01  0.717083D+01 -0.843852D+01 -0.904560D+01
      3   0.515621D+01 -0.291246D+01  0.601024D+01 -0.162980D+01  0.252149D+01
      4   0.464072D+01  0.171584D+01  0.903611D+01  0.544337D+01  0.530677D+01
      5   0.356708D+01 -0.132576D+01  0.609280D+01  0.575543D+01  0.702216D+01
      6   0.764254D+00 -0.923178D+00  0.441189D+00 -0.965623D+01 -0.402760D+01
                16            17            18            19            20 
      1   0.122740D+02  0.501746D+01  0.444187D+01 -0.840655D+01 -0.343430D+00
      2  -0.624081D+01 -0.405043D+01 -0.465674D+01  0.951229D+01  0.849457D-02
      3  -0.603321D+01 -0.967029D+00  0.214866D+00 -0.110574D+01  0.334936D+00
      4   0.376281D+01  0.519305D+01  0.800251D+01 -0.886700D+00  0.290957D+01
      5  -0.926833D+00  0.812646D+01 -0.940182D+01 -0.177065D+01 -0.468656D+00
      6   0.270091D+00 -0.570101D+01  0.953506D+00  0.295108D+01 -0.250857D+01
                21            22            23            24            25 
      1   0.480319D-01  0.508065D+01  0.233028D+01 -0.154268D+01 -0.386037D+01
      2   0.162447D+01 -0.199082D+01 -0.499687D+01 -0.294705D+01  0.275232D+01
      3  -0.167250D+01 -0.308983D+01  0.266659D+01  0.448973D+01  0.110804D+01
      4   0.888036D+00 -0.676310D+01  0.480816D+01  0.513020D+00 -0.378570D+01
      5   0.644289D+00 -0.261530D+01  0.330599D+00  0.271061D+01 -0.971238D+00
      6   0.920272D+00 -0.932014D+00  0.869121D+00 -0.474623D+01 -0.148939D+00
                26            27            28            29            30 
      1  -0.137345D+01  0.983963D+01 -0.596887D+01  0.993079D+01  0.150924D+01
      2  -0.812907D+01  0.799279D+01  0.431225D+00 -0.756285D+01 -0.543697D+01
      3   0.950252D+01 -0.178324D+02  0.553765D+01 -0.236794D+01  0.392773D+01
      4   0.513706D+00  0.599441D+00  0.460481D+01 -0.784396D+01 -0.264438D+01
      5  -0.886334D+00  0.560508D+00  0.312093D+01 -0.299657D+01 -0.704349D+01
      6  -0.314549D+01  0.922150D+01 -0.129964D+01 -0.183951D+01 -0.136712D+01
                31            32            33            34            35 
      1   0.103123D+01  0.936127D+01  0.356980D+01  0.296744D+01 -0.158063D+00
      2  -0.301318D+01 -0.182058D+02  0.382952D+01 -0.415812D+01 -0.328277D+01
      3   0.198195D+01  0.884453D+01 -0.739932D+01  0.119068D+01  0.344083D+01
      4  -0.161971D+02 -0.225509D+02 -0.580727D+01 -0.864176D+01 -0.299462D+01
      5  -0.843743D+01 -0.745192D+01 -0.547919D+01 -0.246227D+00 -0.384057D+01
      6  -0.278591D+01 -0.825885D+01 -0.107738D+02 -0.302205D+01  0.125195D+01
                36            37            38            39            40 
      1  -0.326414D+01  0.487652D+02 -0.660353D+01 -0.493267D+01  0.708802D+01
      2  -0.322912D+01 -0.288626D+02  0.719325D+00  0.606496D+01 -0.775558D+01
      3   0.649326D+01 -0.199025D+02  0.588420D+01 -0.113229D+01  0.667562D+00
      4  -0.490904D+01 -0.160809D+02  0.160394D+02  0.227852D+01  0.152217D+02
      5   0.344489D+01 -0.891221D+01  0.158359D+01  0.156977D+02 -0.175033D+00
      6  -0.716830D+01 -0.593815D+00 -0.485174D+00 -0.280059D+01 -0.150676D+01
                41            42            43            44            45 
      1   0.105216D+02 -0.616488D+00 -0.303588D+01  0.206908D+01  0.544502D+01
      2  -0.362197D+01 -0.107045D+01  0.285472D+01 -0.123770D+01 -0.972826D+01
      3  -0.689967D+01  0.168694D+01  0.181153D+00 -0.831373D+00  0.428324D+01
      4  -0.107027D+01 -0.446572D+00  0.344552D+01 -0.621824D+00 -0.343393D+01
      5  -0.490960D+00 -0.585470D+00  0.149700D+02 -0.407685D+01 -0.113883D+02
      6  -0.987543D+00  0.630158D+01 -0.114425D+01  0.473024D+01  0.159053D+01
                46            47            48            49            50 
      1   0.773542D+01  0.139497D+02 -0.890995D+01  0.133183D+02 -0.282171D+01
      2  -0.874740D+01 -0.598175D+00  0.530923D+01  0.613622D-01  0.586938D+01
      3   0.101199D+01 -0.133515D+02  0.360072D+01 -0.133796D+02 -0.304767D+01
      4   0.118079D+02 -0.175007D+02  0.603342D+01 -0.178927D+02  0.411358D+01
      5  -0.598406D+01  0.100177D+02 -0.643153D+01  0.871072D+01 -0.130976D+02
      6   0.166622D+02 -0.533107D+01 -0.311445D+01 -0.578552D+01  0.222820D+01
                51            52            53            54            55 
      1   0.313044D+01 -0.821172D+01  0.206655D+01 -0.601168D+01  0.146158D+02
      2   0.119644D+02  0.451711D+01  0.948332D+01  0.230998D+01 -0.107288D+02
      3  -0.150949D+02  0.369461D+01 -0.115499D+02  0.370170D+01 -0.388700D+01
      4  -0.829389D+01  0.360301D+01 -0.578711D+01 -0.887651D+01 -0.217613D+01
      5  -0.993642D+01 -0.691322D+01 -0.103700D+02  0.555010D+01 -0.111895D+01
      6  -0.787978D+01 -0.340091D+01 -0.521570D+01 -0.108418D+02 -0.665364D+00
                56            57            58            59            60 
      1   0.729799D+01  0.138194D+00  0.493228D+01 -0.964059D+01 -0.631890D+01
      2  -0.138383D+02  0.366203D+01 -0.115789D+02  0.130622D+02  0.945305D+01
      3   0.654034D+01 -0.380023D+01  0.664658D+01 -0.342164D+01 -0.313416D+01
      4  -0.175468D+01 -0.119726D+01  0.341144D+01 -0.125199D+02  0.354678D+00
      5   0.129501D+00  0.275401D+01  0.846476D+00 -0.665016D+00 -0.226566D+01
      6   0.190373D+01 -0.813737D+01  0.157800D+01  0.119057D+02  0.570457D+01
                61            62            63            64            65 
      1  -0.199391D+01 -0.674016D+01  0.296230D+00  0.106619D+02  0.557089D+01
      2   0.626833D+01  0.129090D+02  0.822409D+00 -0.251491D+01  0.126608D+01
      3  -0.427441D+01 -0.616881D+01 -0.111864D+01 -0.814700D+01 -0.683698D+01
      4   0.334826D+00  0.142645D+01 -0.797227D+01  0.158393D+02  0.189659D+02
      5   0.329622D+01 -0.182611D+01 -0.375095D+01  0.678566D+01  0.554990D+01
      6  -0.871864D+01  0.256802D+01 -0.412473D+01  0.327066D+01  0.300830D+01
                66            67            68            69            70 
      1   0.129501D+01  0.898337D+01 -0.218115D+02 -0.611119D+01  0.267287D+01
      2  -0.971697D+00  0.652218D+00  0.394646D+02  0.188247D+01 -0.106958D+01
      3  -0.323315D+00 -0.963559D+01 -0.176530D+02  0.422872D+01 -0.160328D+01
      4   0.455415D+01  0.224092D+02  0.441359D+02  0.950445D+01  0.469109D+01
      5   0.952579D+01  0.617306D+01  0.113001D+02  0.114355D+02  0.100614D+02
      6   0.430683D+01  0.520089D+01  0.129248D+02  0.169462D+02  0.487093D+01
                71            72            73            74            75 
      1  -0.499793D+01 -0.629956D+01  0.817558D+00  0.642569D+00 -0.381249D+00
      2   0.261627D+01  0.364284D+00 -0.384871D+01 -0.466167D+00 -0.381241D+00
      3   0.238166D+01  0.593528D+01  0.303115D+01 -0.176403D+00  0.762490D+00
      4   0.666317D+01  0.122377D+02 -0.202420D+00  0.154369D+01 -0.185558D+01
      5   0.124840D+02  0.103963D+02  0.196942D+00 -0.131750D+01  0.535888D+01
      6   0.141423D+02  0.951318D+01 -0.223567D+01  0.750530D+00 -0.165228D+00
                76            77            78            79            80 
      1   0.109886D+00 -0.527657D+01  0.365393D+01  0.530407D+00  0.533263D+01
      2   0.269613D+00  0.168179D+01 -0.624510D+00  0.170304D+00  0.471145D+00
      3  -0.379499D+00  0.359478D+01 -0.302942D+01 -0.700711D+00 -0.580377D+01
      4   0.256476D+01 -0.104046D+01  0.449050D+00 -0.505702D+00  0.798449D+00
      5  -0.530606D+00 -0.168059D-01 -0.491928D+00  0.529528D+01  0.100798D+00
      6   0.825643D+00 -0.437926D+01  0.838484D+01  0.297223D+00  0.756651D+01
                81            82            83            84            85 
      1  -0.182471D+02 -0.679318D+00 -0.120829D+01 -0.288909D+01 -0.291660D+01
      2  -0.131192D+02  0.239323D+01  0.985598D+00  0.199002D+01  0.234663D+01
      3   0.313662D+02 -0.171391D+01  0.222691D+00  0.899077D+00  0.569966D+00
      4  -0.461777D+00 -0.355977D+00  0.306017D+01  0.148569D+01  0.234755D+01
      5   0.125914D+01 -0.214235D+01  0.133433D+01  0.195669D+01  0.106601D+01
      6  -0.134130D+02  0.308414D+01  0.577329D+00  0.630372D+00  0.760936D+00
                86            87            88            89            90 
      1  -0.135061D+02 -0.529370D+01 -0.423477D+01 -0.607832D+01 -0.730941D+01
      2   0.179783D+02  0.664198D+01  0.236638D+01  0.437207D+01  0.249638D+01
      3  -0.447226D+01 -0.134828D+01  0.186840D+01  0.170626D+01  0.481302D+01
      4  -0.111878D+02 -0.448132D+01  0.286851D+00 -0.458987D+01 -0.435511D+01
      5  -0.440742D+01 -0.585249D+01  0.255248D+01 -0.465649D+01 -0.400100D+01
      6   0.122560D+02  0.987285D+01  0.994146D+00  0.103442D+02  0.936475D+01
                91            92            93            94            95 
      1  -0.112745D+02 -0.365121D+01  0.210743D+00 -0.159576D+02 -0.555167D+01
      2   0.101670D+02  0.807955D+00 -0.108787D+00  0.926601D+01  0.796341D+01
      3   0.110747D+01  0.284326D+01 -0.101957D+00  0.669159D+01 -0.241174D+01
      4  -0.354642D+01  0.316145D+00 -0.126044D+00  0.664138D+01 -0.149426D+02
      5   0.909493D+00  0.458890D+00 -0.141185D+01  0.277454D+01 -0.288037D+01
      6   0.754142D+00 -0.405911D+00 -0.190621D+01 -0.814651D+00  0.273821D+01
                96            97            98            99           100 
      1  -0.938250D-01 -0.150260D+01 -0.127736D+01 -0.649195D+00 -0.781377D+00
      2   0.559146D+00  0.126439D+01  0.116929D+01 -0.309942D+00 -0.226174D+00
      3  -0.465321D+00  0.238217D+00  0.108073D+00  0.959137D+00  0.100755D+01
      4  -0.388109D+01  0.994120D+00 -0.305644D+01 -0.301741D+01  0.185841D+01
      5  -0.513710D+01  0.326388D+01 -0.249859D+01 -0.257254D+01  0.213463D+01
      6   0.179995D+01 -0.177655D+01  0.261729D+01  0.166844D+01  0.331531D+01
               101           102           103           104           105 
      1  -0.248063D+01 -0.172523D+01 -0.284185D+00 -0.174155D+01 -0.137312D+01
      2   0.383029D+01 -0.590906D+00  0.138576D+01  0.142080D+01  0.197392D+01
      3  -0.134966D+01  0.231613D+01 -0.110157D+01  0.320751D+00 -0.600803D+00
      4   0.328328D+01  0.301599D+01  0.272298D+01  0.156160D+01  0.161537D+01
      5   0.817148D+00  0.334752D+01  0.441648D+00  0.169275D+01  0.745199D+00
      6   0.278123D+01  0.620964D+01  0.187613D+01  0.162739D+01  0.328986D+01
               106           107           108           109           110 
      1  -0.131116D+01 -0.421439D+01 -0.742476D+01 -0.154016D+01 -0.690993D+01
      2  -0.221860D+01  0.489868D+01 -0.409117D+01  0.564810D+01  0.141463D+02
      3   0.352977D+01 -0.684293D+00  0.115159D+02 -0.410794D+01 -0.723635D+01
      4   0.549223D+01  0.201529D+01  0.481309D+01  0.492114D+01  0.887637D+01
      5   0.359177D+01  0.681660D+00  0.455976D+01 -0.146212D+01 -0.916237D+00
      6   0.539054D+01  0.558572D+01  0.153304D+02 -0.233559D+01 -0.343782D+01
               111           112           113           114           115 
      1   0.455550D+00 -0.519400D+01 -0.158402D+02  0.357646D+01  0.204237D+01
      2  -0.239726D+01  0.104094D+02  0.300473D+02 -0.683007D+01 -0.375690D+01
      3   0.194171D+01 -0.521538D+01 -0.142072D+02  0.325361D+01  0.171452D+01
      4  -0.173894D+01  0.861537D+01  0.102514D+02 -0.290184D+01 -0.302479D+01
      5   0.179694D+01  0.119810D+00 -0.125238D+01  0.759923D+00  0.169541D+01
      6   0.323891D+01 -0.328824D+01 -0.829877D+01  0.613552D+01  0.375678D+01
               116           117           118           119           120 
      1   0.722318D+01 -0.469841D+01 -0.973964D+01 -0.920894D+01  0.105314D+02
      2  -0.118007D+02  0.552432D+01  0.560030D+01  0.613770D+01 -0.896972D+00
      3   0.457747D+01 -0.825912D+00  0.413934D+01  0.307124D+01 -0.963439D+01
      4  -0.398044D+01  0.323778D+01  0.766821D+01  0.449835D+01 -0.235877D+01
      5   0.140052D+01 -0.928187D+00 -0.990214D+01 -0.416417D+01  0.337001D+01
      6   0.923688D+01 -0.615470D+01 -0.794056D+01 -0.767211D+01  0.858101D+01
               121           122           123           124           125 
      1  -0.798765D+01 -0.901604D+01  0.625150D+01  0.738335D+01  0.531848D+01
      2   0.553944D+01  0.805265D+01 -0.370720D+01 -0.453181D+00 -0.248629D+01
      3   0.244821D+01  0.963399D+00 -0.254430D+01 -0.693017D+01 -0.283219D+01
      4   0.544566D+01  0.849157D+00  0.191012D+00 -0.177355D+01 -0.580186D+00
      5  -0.465457D+01 -0.560317D+00  0.155910D+01  0.504819D+01  0.226254D+01
      6  -0.529529D+01 -0.893906D+01  0.814497D+01  0.634750D+01  0.701385D+01
               126           127           128           129           130 
      1  -0.849917D+01  0.167262D+02 -0.726867D+01  0.213333D+01 -0.686916D+01
      2  -0.416866D+00 -0.404239D+01 -0.276176D+01 -0.312554D+01 -0.329531D+01
      3   0.891603D+01 -0.126838D+02  0.100304D+02  0.992209D+00  0.101645D+02
      4   0.312941D+01 -0.228858D+02  0.200914D+02 -0.778681D+01  0.194183D+02
      5  -0.316347D+01  0.170730D+02 -0.116908D+02  0.117997D+02 -0.107882D+02
      6  -0.616956D+01 -0.109185D+02  0.103958D+02 -0.696509D+01  0.908205D+01
               131           132           133           134           135 
      1  -0.736672D+00  0.156647D+01  0.451083D+00  0.101420D+01  0.662498D+00
      2   0.109625D+02 -0.186177D+01 -0.232724D+01  0.900408D-01 -0.151018D+01
      3  -0.102258D+02  0.295296D+00  0.187616D+01 -0.110425D+01  0.847681D+00
      4  -0.221567D+02  0.783111D+01 -0.391253D+01  0.438133D+01 -0.588482D+01
      5   0.115358D+02 -0.680525D+01  0.890930D+01 -0.554020D+01  0.606994D+01
      6  -0.138101D+02  0.969661D+01 -0.530442D+01  0.764624D+01 -0.466083D+01
               136           137           138           139           140 
      1   0.145951D+01  0.104061D+01  0.263006D+01  0.237546D+01 -0.216116D+01
      2  -0.340429D+01 -0.285576D+01 -0.468466D+01 -0.425754D+01 -0.408256D+01
      3   0.194477D+01  0.181515D+01  0.205460D+01  0.188208D+01  0.624372D+01
      4   0.126111D+01  0.508713D+01  0.737670D+00  0.449554D+01  0.826621D+01
      5   0.623017D+01  0.278468D+01  0.834600D+01  0.549910D+01  0.795561D+01
      6   0.545285D+00  0.293134D+01  0.146128D+01  0.230636D+01  0.117157D+02
               141           142           143           144           145 
      1  -0.508560D+01  0.201431D+01 -0.318021D+01 -0.769683D+01  0.124051D+01
      2  -0.965850D+01 -0.435293D+01 -0.674175D+01 -0.134562D+02 -0.340955D+01
      3   0.147441D+02  0.233862D+01  0.992196D+01  0.211530D+02  0.216904D+01
      4   0.571663D+01  0.519766D+00  0.488492D+01  0.532536D+01 -0.599704D+00
      5   0.115967D+02  0.751264D+01  0.664786D+01  0.136073D+02 -0.491878D+01
      6   0.768075D+01  0.142476D+01  0.845646D+01  0.682026D+01 -0.860285D+00
               146           147           148           149           150 
      1  -0.505289D+00 -0.617719D+01 -0.971415D+00 -0.878011D+00  0.288963D+01
      2   0.248634D+00  0.324226D+01  0.685576D-01 -0.735838D+00  0.155636D+01
      3   0.256655D+00  0.293493D+01  0.902857D+00  0.161385D+01 -0.444600D+01
      4   0.243309D+01 -0.113842D+01  0.510072D+01  0.536548D+01 -0.596923D+01
      5  -0.876532D+00  0.677568D+01 -0.197652D+01 -0.572534D+01  0.863829D+01
      6  -0.871381D-01  0.359864D+00 -0.144112D+01 -0.361983D+01  0.798382D+01
               151           152           153           154           155 
      1  -0.801862D+01  0.293558D+01 -0.133599D+02  0.100716D+02  0.542472D+01
      2   0.814863D+01  0.173515D+01 -0.188318D+02 -0.180529D+01 -0.130823D+00
      3  -0.130013D+00 -0.467073D+01  0.321917D+02 -0.826633D+01 -0.529390D+01
      4  -0.284525D+01 -0.657864D+01  0.826875D+01  0.709909D+01  0.123173D+02
      5   0.144485D+02  0.900737D+01 -0.431708D+02  0.391623D+01  0.298888D+01
      6   0.111956D+01  0.752418D+01 -0.813604D+01  0.118934D+01 -0.454392D+00
               156           157           158           159           160 
      1   0.450313D+01  0.101876D+02  0.542321D+01  0.145253D+01  0.101134D+02
      2  -0.141786D+01 -0.195652D+01  0.979577D+01  0.350115D+01 -0.414957D+01
      3  -0.308527D+01 -0.823110D+01 -0.152190D+02 -0.495368D+01 -0.596387D+01
      4   0.395822D+01  0.165423D+02  0.296652D+02  0.827718D+01  0.645229D+01
      5   0.292338D+01  0.206406D+01  0.799150D+01  0.101893D+02  0.427784D+01
      6   0.498884D+00 -0.318802D+00  0.563292D+00  0.351916D+01  0.139099D+01
               161           162           163           164           165 
      1   0.265379D+01  0.490998D-01  0.557271D+02 -0.195478D+02  0.760208D+00
      2   0.305611D+01  0.131412D-01 -0.267519D+02  0.875229D+01  0.708190D+00
      3  -0.570990D+01 -0.622410D-01 -0.289752D+02  0.107955D+02 -0.146840D+01
      4   0.119716D+02  0.864132D+01 -0.224561D+02  0.168826D+02  0.476536D+00
      5   0.901311D+01  0.670189D+01 -0.618437D+01  0.261479D+01  0.807072D+01
      6   0.334566D+01  0.236609D+01  0.400560D+01 -0.297080D+01 -0.108189D+01
               166           167           168           169           170 
      1  -0.276947D+02  0.141017D+02  0.103562D+01  0.710705D+01 -0.872091D+00
      2   0.120192D+02 -0.245995D+01 -0.880660D+00 -0.226473D+01  0.620043D+00
      3   0.156755D+02 -0.116417D+02 -0.154963D+00 -0.484232D+01  0.252048D+00
      4   0.212350D+02 -0.181492D+02  0.134588D+01 -0.116583D+01  0.309628D+01
      5   0.484587D+01 -0.442480D+00 -0.541499D+01  0.864901D+01 -0.301313D+01
      6  -0.349086D+01  0.342886D+01  0.227677D+01 -0.144182D+01  0.203500D+01
               171 
      1   0.473335D+01
      2  -0.392869D+01
      3  -0.804653D+00
      4  -0.298610D+01
      5  -0.203359D+01
      6  -0.374296D+00
 Leave Link  716 at Thu Aug 12 22:08:06 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.847483D+02 -0.155587D+00 -0.184090D+01
      2  -0.155587D+00  0.794411D+02  0.144824D+01
      3  -0.184090D+01  0.144824D+01  0.698836D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.684642D+00 -0.203607D+00  0.121441D+01
      2   0.230528D+01 -0.777052D+01  0.334510D+02
      3   0.548136D+01 -0.174151D+02  0.813650D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.724169D+02 -0.736757D+01 -0.180407D+01
      2  -0.412654D+02  0.697005D+01 -0.152558D+00
      3  -0.311514D+02  0.397522D+00  0.195662D+01
      4  -0.622979D+01  0.372396D+02 -0.205210D+02
      5   0.545670D+01 -0.224393D+02  0.721770D+02
      6  -0.910554D+01  0.715234D+01 -0.198806D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.114568D+01  0.394519D+01 -0.217718D+01  0.460166D+01 -0.294389D+01
      2   0.394519D+01 -0.251350D+01 -0.990127D+00 -0.294389D+01 -0.220212D+01
      3  -0.217718D+01 -0.990127D+00  0.536616D+00 -0.908007D+00 -0.211204D+01
                 6             7             8             9            10 
      1  -0.908007D+00 -0.247190D+01 -0.574433D+00 -0.320619D+00  0.192822D+01
      2  -0.211204D+01 -0.574433D+00 -0.214924D+01 -0.292778D+01 -0.366019D+01
      3  -0.268765D+01 -0.320619D+00 -0.292778D+01  0.613948D+01  0.258930D+01
                11            12            13            14            15 
      1  -0.366019D+01  0.258930D+01 -0.464840D+01  0.183503D+01  0.974034D+00
      2   0.191504D+01  0.107698D+01  0.183503D+01  0.256675D+01  0.239927D+01
      3   0.107698D+01 -0.246857D+00  0.974034D+00  0.239927D+01  0.320408D+01
                16            17            18            19            20 
      1   0.299452D+01  0.747968D+00 -0.119577D+00 -0.985789D+00  0.354349D+01
      2   0.747968D+00  0.222200D+01  0.352981D+01  0.354349D+01 -0.759535D+00
      3  -0.119577D+00  0.352981D+01 -0.376576D+01 -0.629317D+00 -0.172129D+00
                21            22            23            24            25 
      1  -0.629317D+00  0.437148D+01  0.108371D+00  0.249182D+00 -0.704399D+00
      2  -0.172129D+00  0.108371D+00 -0.166679D+01 -0.102288D+01  0.728025D+00
      3   0.368572D-01  0.249182D+00 -0.102288D+01 -0.129175D+01  0.526649D-01
                26            27            28            29            30 
      1   0.728025D+00  0.526649D-01 -0.193103D+01 -0.201546D+01 -0.551666D-01
      2  -0.981084D+00 -0.216850D+01 -0.201546D+01  0.359706D+00  0.617816D+00
      3  -0.216850D+01  0.562454D+01 -0.551666D-01  0.617816D+00 -0.157851D+00
                31            32            33            34            35 
      1  -0.351021D+00  0.108198D+01  0.782908D+00  0.272426D+00  0.872509D+00
      2   0.108198D+01  0.501279D+01  0.156871D+01  0.872509D+00  0.190512D+01
      3   0.782908D+00  0.156871D+01  0.924954D+00  0.209893D+00  0.797832D+00
                36            37            38            39            40 
      1   0.209893D+00 -0.785011D+01  0.114100D+01  0.142425D+01 -0.231104D+01
      2   0.797832D+00  0.114100D+01 -0.203348D+01 -0.531604D+00 -0.326027D+01
      3   0.540418D-01  0.142425D+01 -0.531604D+00 -0.106261D+01 -0.587550D-01
                41            42            43            44            45 
      1  -0.326027D+01 -0.587550D-01  0.116918D+01 -0.618375D+00 -0.183231D+01
      2  -0.118648D+01 -0.195603D+00 -0.618375D+00 -0.591389D+00  0.689404D+00
      3  -0.195603D+00 -0.603050D-01 -0.183231D+01  0.689404D+00  0.187065D+01
                46            47            48            49            50 
      1   0.244825D+00  0.486675D+01 -0.303241D+01  0.481971D+01 -0.217546D+01
      2   0.486675D+01 -0.230185D+01 -0.652632D+00 -0.217546D+01 -0.163570D+00
      3  -0.303241D+01 -0.652632D+00  0.244252D+00 -0.753640D+00 -0.303894D+01
                51            52            53            54            55 
      1  -0.753640D+00 -0.237549D+01 -0.772281D+00  0.270420D+00 -0.835585D+00
      2  -0.303894D+01 -0.772281D+00 -0.246857D+01 -0.304547D+01 -0.962888D+00
      3  -0.244366D+01  0.270420D+00 -0.304547D+01  0.230122D+01 -0.111057D+00
                56            57            58            59            60 
      1  -0.962888D+00 -0.111057D+00 -0.931772D+00 -0.272183D+01  0.247955D+00
      2  -0.275427D+01  0.313205D+00 -0.272183D+01  0.247421D+01  0.205310D+01
      3   0.313205D+00 -0.202206D+01  0.247955D+00  0.205310D+01  0.122906D+00
                61            62            63            64            65 
      1   0.289164D-02  0.449207D+00 -0.229773D+01 -0.161977D+01 -0.284043D+01
      2   0.449207D+00  0.225604D+01  0.528858D+00 -0.284043D+01 -0.197381D+01
      3  -0.229773D+01  0.528858D+00 -0.211254D+01 -0.971620D+00 -0.856734D+00
                66            67            68            69            70 
      1  -0.971620D+00 -0.410136D+01 -0.214593D+01 -0.665741D+00 -0.131108D+01
      2  -0.856734D+00 -0.214593D+01 -0.116643D+02 -0.229671D+01 -0.584948D+00
      3  -0.510467D+00 -0.665741D+00 -0.229671D+01 -0.272585D+01 -0.102643D+01
                71            72            73            74            75 
      1  -0.584948D+00 -0.102643D+01  0.288880D+00 -0.245792D+00 -0.117902D+01
      2  -0.179051D+01 -0.318741D+01 -0.245792D+00  0.767947D-01  0.673560D-01
      3  -0.318741D+01 -0.250050D+01 -0.117902D+01  0.673560D-01 -0.926454D-01
                76            77            78            79            80 
      1  -0.539874D+00 -0.790934D-01  0.159097D+00 -0.180203D+01 -0.676650D-01
      2  -0.790934D-01  0.148847D+01 -0.131502D+01 -0.676650D-01 -0.163168D+01
      3   0.159097D+00 -0.131502D+01  0.132281D+01 -0.237109D+00  0.179633D+01
                81            82            83            84            85 
      1  -0.237109D+00 -0.102816D+01 -0.459585D+00 -0.111774D+01 -0.897842D+00
      2   0.179633D+01 -0.459585D+00 -0.315336D+00 -0.771454D-01 -0.460675D+00
      3  -0.790026D+01 -0.111774D+01 -0.771454D-01 -0.172836D+00 -0.210192D+00
                86            87            88            89            90 
      1  -0.460675D+00 -0.210192D+00 -0.158196D+01 -0.211593D+00 -0.594454D-01
      2  -0.558986D+01 -0.227212D+01 -0.211593D+00 -0.226709D+01 -0.232048D+01
      3  -0.227212D+01 -0.254295D+01 -0.594454D-01 -0.232048D+01 -0.223221D+01
                91            92            93            94            95 
      1   0.139334D+01  0.183507D+01 -0.122615D-01  0.444608D+01  0.342965D+00
      2   0.183507D+01  0.518524D+00  0.201746D+00  0.342965D+00  0.400415D+01
      3  -0.122615D-01  0.201746D+00 -0.269249D+00 -0.373861D+00  0.918757D+00
                96            97            98            99           100 
      1  -0.373861D+00  0.635128D+00 -0.530496D-01 -0.696668D+00  0.551092D+00
      2   0.918757D+00 -0.530496D-01  0.853417D+00  0.582761D+00  0.345739D+00
      3   0.104789D+01 -0.696668D+00  0.582761D+00  0.795135D+00  0.105799D+01
               101           102           103           104           105 
      1   0.345739D+00  0.105799D+01  0.218499D+00  0.594739D+00  0.632559D-01
      2   0.102688D+01  0.346308D+00  0.594739D+00  0.255362D+00  0.760734D+00
      3   0.346308D+00  0.167243D+01  0.632559D-01  0.760734D+00  0.107422D+00
               106           107           108           109           110 
      1   0.205751D+01 -0.406137D-01  0.170960D+01  0.108726D+01  0.153949D+01
      2  -0.406137D-01  0.189931D+01  0.778009D+00  0.153949D+01  0.281935D+01
      3   0.170960D+01  0.778009D+00  0.471871D+01 -0.329437D+00 -0.510317D+00
               111           112           113           114           115 
      1  -0.329437D+00  0.212579D+01  0.217724D+01 -0.531569D+00 -0.102893D+01
      2  -0.510317D+00  0.217724D+01  0.575873D+01 -0.124036D+01 -0.818586D+00
      3   0.631904D+00 -0.531569D+00 -0.124036D+01  0.124038D+01  0.686582D+00
               116           117           118           119           120 
      1  -0.818586D+00  0.686582D+00 -0.501738D+01 -0.205214D+01  0.168436D+01
      2  -0.257570D+01  0.142136D+01 -0.205214D+01 -0.167960D+01  0.128644D+01
      3   0.142136D+01 -0.112773D+01  0.168436D+01  0.128644D+01 -0.262125D+01
               121           122           123           124           125 
      1  -0.205191D+01 -0.117526D+01  0.840159D+00  0.111583D+01  0.818644D+00
      2  -0.117526D+01 -0.217337D+01  0.153946D+01  0.818644D+00  0.111059D+01
      3   0.840159D+00  0.153946D+01 -0.109692D+01 -0.165942D+01 -0.795605D+00
               126           127           128           129           130 
      1  -0.165942D+01  0.472695D+01 -0.330640D+01  0.178888D+01 -0.314830D+01
      2  -0.795605D+00 -0.330640D+01  0.310988D+01 -0.111088D+01  0.287755D+01
      3   0.161804D+01  0.178888D+01 -0.111088D+01  0.171647D+01 -0.900319D+00
               131           132           133           134           135 
      1   0.287755D+01 -0.900319D+00  0.895522D+00 -0.566955D+00  0.115585D+01
      2  -0.422593D+01  0.178951D+01 -0.566955D+00  0.103269D+01 -0.860083D+00
      3   0.178951D+01 -0.124768D+01  0.115585D+01 -0.860083D+00  0.802299D+00
               136           137           138           139           140 
      1   0.811286D+00  0.266895D+00  0.126400D+01  0.857349D+00  0.562183D+00
      2   0.266895D+00  0.797566D+00  0.440135D+00  0.562183D+00  0.341377D+01
      3   0.126400D+01  0.440135D+00  0.968024D+00  0.729657D+00  0.197246D+01
               141           142           143           144           145 
      1   0.729657D+00  0.113942D+01  0.333837D+00  0.753634D+00  0.226117D+00
      2   0.197246D+01  0.333837D+00  0.191713D+01  0.195743D+01 -0.643244D-01
      3   0.337452D+01  0.753634D+00  0.195743D+01  0.409389D+01 -0.998443D+00
               146           147           148           149           150 
      1  -0.643244D-01 -0.998443D+00 -0.814507D-01  0.639695D+00 -0.242261D+00
      2   0.121822D+00  0.754462D-01  0.639695D+00  0.110160D+01 -0.128538D+01
      3   0.754462D-01  0.798313D-01 -0.242261D+00 -0.128538D+01  0.167816D+01
               151           152           153           154           155 
      1  -0.195015D+01 -0.305492D+00  0.168090D+01  0.140128D+01  0.108208D+01
      2  -0.305492D+00 -0.138759D+01  0.193028D+01  0.108208D+01  0.141361D+01
      3   0.168090D+01  0.193028D+01 -0.902606D+01  0.822099D+00  0.416630D+00
               156           157           158           159           160 
      1   0.822099D+00  0.216619D+01  0.204094D+01  0.297428D+00  0.187906D+01
      2   0.416630D+00  0.204094D+01  0.525805D+01  0.148565D+01  0.759216D+00
      3   0.322688D+00  0.297428D+00  0.148565D+01  0.177942D+01  0.592182D+00
               161           162           163           164           165 
      1   0.759216D+00  0.592182D+00  0.775425D+01 -0.295851D+01 -0.172368D-01
      2   0.215821D+01  0.162241D+01 -0.295851D+01  0.217220D+01  0.595071D-01
      3   0.162241D+01  0.107554D+01 -0.172368D-01  0.595071D-01  0.946758D+00
               166           167           168           169           170 
      1  -0.454379D+01  0.270170D+01  0.300668D+00  0.106445D+01 -0.954141D-01
      2   0.270170D+01 -0.246152D+01  0.291404D+00 -0.954141D-01  0.488359D+00
      3   0.300668D+00  0.291404D+00 -0.705766D+00  0.113757D+01 -0.329148D+00
               171 
      1   0.113757D+01
      2  -0.329148D+00
      3  -0.428491D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.300695D+01  0.240461D+01  0.981860D+00  0.300472D+01  0.237342D+01
      2  -0.736789D+01  0.660792D+00  0.118994D+01  0.154546D+01 -0.860186D+01
      3  -0.120845D+02  0.606778D+01  0.298575D+01  0.131755D+02  0.724732D+01
                 6             7             8             9            10 
      1   0.276804D+00  0.183712D+01  0.455620D+01  0.142029D+00  0.324182D+01
      2  -0.862637D+01 -0.702159D+01 -0.926757D+01  0.176217D+02  0.678692D+01
      3   0.536003D+01  0.109500D+01  0.654472D+01  0.809365D+01  0.474296D+01
                11            12            13            14            15 
      1  -0.596465D+00 -0.116125D+00 -0.438350D+00  0.307285D+01 -0.286575D+01
      2  -0.107880D+01  0.411242D+01 -0.180330D+01  0.415205D+01  0.363550D+01
      3  -0.329327D+01 -0.155698D+01  0.396191D+01 -0.598973D+01 -0.509737D+01
                16            17            18            19            20 
      1  -0.130969D+00  0.404523D+01 -0.285636D+01 -0.354723D+01  0.785685D+00
      2  -0.389562D+01  0.410642D+01 -0.357582D+01 -0.113854D+01  0.146140D+01
      3  -0.209689D+01 -0.428137D+01 -0.420140D+01  0.135016D+01 -0.456910D+01
                21            22            23            24            25 
      1  -0.113664D+01  0.350315D+00  0.651775D+00  0.701692D+00 -0.178555D+01
      2   0.173375D+01  0.503172D+01 -0.210603D+01  0.257272D+01 -0.335457D+01
      3   0.712198D+00  0.211832D+01 -0.295857D+01  0.149388D+01 -0.861732D+00
                26            27            28            29            30 
      1   0.546512D+01  0.562139D+00  0.138402D+01  0.770189D+00  0.671760D+00
      2   0.124774D+01 -0.268317D+01 -0.562582D+01  0.389393D+00 -0.473576D+01
      3   0.111188D+01  0.430478D+00 -0.715969D+01 -0.189146D+00 -0.143566D+01
                31            32            33            34            35 
      1   0.274163D+01 -0.536697D+01  0.675787D+01  0.156988D+01  0.632142D+01
      2   0.540151D+01  0.346099D-01 -0.313203D+01 -0.171314D+02 -0.343884D+01
      3   0.275178D+00  0.118272D+02 -0.266281D+00 -0.355593D+01 -0.432738D+00
                36            37            38            39            40 
      1   0.505763D+01 -0.159508D+01 -0.242224D+01  0.206604D+01 -0.187026D+01
      2   0.299655D+01  0.699507D+00  0.240883D+01  0.841936D+01  0.181529D+01
      3   0.966824D+00 -0.409891D+01 -0.144438D+02 -0.123369D+01 -0.111888D+02
                41            42            43            44            45 
      1  -0.151779D+01 -0.363389D+01 -0.477124D-01  0.234370D+01 -0.136938D+01
      2   0.146429D+01  0.101965D+01  0.622454D+01  0.303006D+00 -0.515488D+01
      3  -0.967044D+01 -0.663509D+00 -0.157727D+00  0.260389D+00  0.124761D+01
                46            47            48            49            50 
      1   0.478907D+01 -0.471203D+01 -0.732898D+00 -0.438318D+01 -0.317367D+01
      2  -0.518851D+01 -0.976277D+01  0.962238D+01 -0.817632D+01 -0.105518D+01
      3  -0.775045D+01 -0.445105D+01  0.498206D+01 -0.334851D+00  0.315894D+01
                51            52            53            54            55 
      1  -0.125181D+02 -0.112835D+01 -0.663382D+01 -0.192981D+01  0.686899D+00
      2  -0.266271D+01  0.245061D+01 -0.283505D+01  0.175562D+01  0.478069D+00
      3   0.539777D+01  0.384814D+01  0.487494D+01  0.377877D+01 -0.273834D+01
                56            57            58            59            60 
      1  -0.315458D+01  0.605030D+01 -0.320028D+01 -0.675518D+01 -0.465702D+01
      2   0.166848D+01  0.609920D+01 -0.532548D+00  0.465324D+00 -0.139977D+01
      3  -0.995991D+01 -0.172592D+01  0.207997D+01 -0.316012D+01  0.184423D+01
                61            62            63            64            65 
      1   0.651084D+01  0.415547D+01  0.459884D+01  0.439457D+00  0.128809D+01
      2  -0.207896D+01 -0.986684D+00  0.206158D+01  0.115303D+01  0.215339D+00
      3   0.325066D+00  0.352095D+01 -0.568079D+01 -0.116263D+01 -0.441000D+01
                66            67            68            69            70 
      1  -0.237267D+01  0.576143D-02  0.490627D+01 -0.101274D+02 -0.464739D+00
      2   0.488198D+01 -0.560800D+01  0.173688D+01  0.556197D+01  0.804408D+00
      3  -0.503113D+00  0.900297D+01 -0.198597D+02 -0.220517D+01  0.139027D+01
                71            72            73            74            75 
      1   0.208329D+01 -0.202622D+01  0.717575D+00 -0.337747D+00  0.165509D+00
      2   0.591345D+01  0.295561D+01  0.119862D+01 -0.162957D-01 -0.156987D+00
      3  -0.233619D+01 -0.559873D+01  0.563531D+00 -0.328165D+00 -0.625365D+00
                76            77            78            79            80 
      1  -0.253592D+00 -0.161217D+01 -0.514263D+00  0.212775D+00  0.256934D+01
      2  -0.201617D+00  0.432303D+00 -0.373010D+00 -0.353126D+01 -0.363554D-01
      3   0.138446D+01  0.436413D+00 -0.267652D+00 -0.979428D+00 -0.539446D+00
                81            82            83            84            85 
      1   0.216007D+01 -0.894304D+00  0.119164D+00 -0.145767D+00 -0.115627D+00
      2   0.925158D+00 -0.252382D+01 -0.271797D+00 -0.122784D+00 -0.155531D+01
      3   0.184774D+00  0.218758D+01  0.620318D+00  0.119413D+01  0.435127D+01
                86            87            88            89            90 
      1   0.979302D+00 -0.303573D+01  0.398313D-02  0.553981D+00 -0.105010D+01
      2  -0.271676D+01 -0.294457D+01 -0.269257D+01 -0.263423D+01 -0.241662D+01
      3   0.766997D+01  0.338892D+01  0.238477D+01  0.321965D+01  0.318278D+01
                91            92            93            94            95 
      1   0.146872D+01  0.155978D+01  0.129760D+01  0.183668D+01  0.201380D+01
      2  -0.241473D+01 -0.204105D+01 -0.159003D+01 -0.231347D+01 -0.379474D+01
      3   0.633458D+01  0.838658D+01  0.619295D+00  0.118608D+02  0.153985D+02
                96            97            98            99           100 
      1  -0.412218D+00  0.120433D+01  0.159423D+01 -0.208890D+00 -0.297007D+01
      2  -0.340196D+01 -0.214625D+01 -0.209997D+01 -0.101361D+01 -0.182465D+01
      3   0.253989D+01  0.114454D+01  0.208338D+01  0.169408D+00  0.225953D+01
               101           102           103           104           105 
      1   0.104066D+01 -0.501073D+01  0.103151D+01 -0.216553D+01  0.343292D+00
      2   0.549621D-01 -0.935709D+00  0.319911D+00 -0.101048D+01  0.645104D+00
      3  -0.187874D+00  0.261925D+01  0.513770D+00  0.125155D+01 -0.285797D-02
               106           107           108           109           110 
      1  -0.539916D+01  0.129849D+01 -0.108392D+02  0.121006D+01  0.227099D+01
      2  -0.356743D+01  0.439789D+00 -0.205978D+01  0.283521D+00 -0.293794D+00
      3   0.515932D+01 -0.446568D+00  0.475854D+01  0.402505D+01  0.298095D+01
               111           112           113           114           115 
      1  -0.254809D+01  0.253798D+01  0.452975D+01 -0.394624D+01 -0.235760D+01
      2   0.138727D+00 -0.287901D+00 -0.383618D+00  0.471064D+00 -0.971780D+00
      3  -0.105279D+01  0.691454D+01  0.556260D+01 -0.179382D+01 -0.349945D+01
               116           117           118           119           120 
      1  -0.299042D+01  0.287224D+01 -0.189172D+01 -0.218570D+01 -0.172689D+01
      2   0.185079D+00 -0.232413D+00  0.122613D+02  0.464471D+01 -0.341917D+01
      3  -0.250852D+01  0.202814D+01  0.102103D+02  0.287813D+01 -0.288074D+01
               121           122           123           124           125 
      1  -0.130115D+01 -0.167609D+01  0.187731D+00 -0.818888D+00  0.216093D+01
      2   0.473962D+01  0.354779D+01 -0.198422D+01 -0.496966D+01 -0.228240D+01
      3   0.540673D+01  0.332352D+01 -0.273068D+01 -0.209602D+01 -0.166855D+01
               126           127           128           129           130 
      1   0.513506D+00 -0.311471D+01  0.419870D+01  0.147436D+01  0.342010D+01
      2   0.398915D+01 -0.491306D+01  0.328477D+01  0.200987D+01  0.422505D+01
      3   0.309795D+01 -0.131247D+01 -0.253224D+01 -0.126459D+00  0.140126D+01
               131           132           133           134           135 
      1  -0.425378D+01 -0.462004D+00  0.241456D+00  0.172395D+01 -0.322334D+00
      2  -0.172770D+01 -0.134083D+01 -0.116718D+01 -0.171021D-01 -0.301261D+00
      3   0.349891D+01 -0.165598D+01 -0.625325D+00 -0.111736D+01 -0.125112D+00
               136           137           138           139           140 
      1   0.180710D+01  0.189470D+01  0.140545D+01  0.112302D+01  0.109050D+02
      2   0.482993D+00  0.773738D-01  0.331475D+00 -0.160131D+01  0.238261D+01
      3  -0.633822D+00 -0.205233D+01 -0.167120D+01  0.555742D+00 -0.677560D+01
               141           142           143           144           145 
      1   0.503782D+01  0.134460D+01  0.783942D+01  0.668779D+01  0.176519D+00
      2   0.395865D+01 -0.232816D+01  0.208331D+01  0.446053D+01 -0.280968D+01
      3  -0.326842D+01 -0.781166D+00 -0.327277D+01 -0.343298D+01  0.243612D+00
               146           147           148           149           150 
      1   0.116843D-01 -0.100829D+00 -0.343065D+00 -0.138051D+01 -0.347856D+00
      2  -0.661081D-01  0.282245D+00 -0.171895D-01 -0.243707D+01  0.457924D+01
      3  -0.988131D+00 -0.255374D+00 -0.457471D+00 -0.302258D+01  0.307647D+01
               151           152           153           154           155 
      1  -0.111873D+00  0.342887D+01  0.817953D+00 -0.110566D+01 -0.124229D+01
      2  -0.833999D+00  0.492837D+01 -0.224572D+02  0.345452D+01  0.190297D+01
      3  -0.293181D+00  0.388703D+01 -0.504464D+01 -0.324385D+01 -0.424651D+01
               156           157           158           159           160 
      1  -0.948003D+00 -0.139266D+01 -0.414882D+01 -0.408342D+01 -0.791623D+00
      2   0.225309D+01  0.163558D+01  0.649259D+01  0.625771D+01  0.103743D+01
      3  -0.803973D+00 -0.225594D+01 -0.160867D+02 -0.492642D+01 -0.507355D+00
               161           162           163           164           165 
      1  -0.103606D+01 -0.231124D+01  0.220448D+01 -0.169321D+01  0.725777D+00
      2   0.528666D+01  0.408818D+01  0.608783D+01 -0.251584D+01  0.483299D+01
      3  -0.707237D+01 -0.468228D+01  0.834836D+01 -0.900593D+01  0.374295D-01
               166           167           168           169           170 
      1  -0.183318D+01  0.189570D+01 -0.164828D+01  0.304026D-01  0.244381D+00
      2  -0.261717D+01  0.312500D+01 -0.283614D+01  0.279820D+01 -0.815049D+00
      3  -0.639006D+01  0.806801D+01 -0.114568D+01  0.107082D+00 -0.182707D+01
               171 
      1   0.222499D+00
      2  -0.367137D-01
      3   0.827000D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.109892D+02  0.233145D+02 -0.109342D+02  0.280532D+02 -0.157854D+02
      2   0.277068D+01 -0.130803D+02  0.500571D+01 -0.155486D+02  0.216423D+01
      3   0.821856D+01 -0.102342D+02  0.592847D+01 -0.125046D+02  0.136212D+02
      4   0.248865D+02 -0.144046D+02 -0.484963D+01 -0.196068D+02 -0.109979D+02
      5  -0.966786D+01 -0.796776D+01  0.372888D+01 -0.945645D+01 -0.957107D+01
      6  -0.453369D+01  0.207996D+01  0.254072D+00  0.174709D+01 -0.859462D+00
                 6             7             8             9            10 
      1  -0.818048D+01 -0.141600D+02 -0.570445D+01  0.114034D+02 -0.544332D+01
      2  -0.280526D+01  0.387675D+01 -0.465791D+01  0.716579D+01  0.132029D+01
      3   0.109857D+02  0.102833D+02  0.103624D+02 -0.185691D+02  0.412303D+01
      4  -0.111648D+02 -0.392741D+01 -0.127551D+02 -0.123584D+02 -0.109119D+02
      5  -0.126882D+02  0.233820D+00 -0.131716D+02  0.264200D+02  0.985552D+01
      6  -0.426462D+00 -0.106053D+01 -0.561212D+00  0.566283D+01 -0.439459D+01
                11            12            13            14            15 
      1  -0.965142D+01  0.928016D+01 -0.131811D+02  0.100683D+02  0.652411D+01
      2   0.449521D+01 -0.636771D+01  0.717083D+01 -0.843852D+01 -0.904560D+01
      3   0.515621D+01 -0.291246D+01  0.601024D+01 -0.162980D+01  0.252149D+01
      4   0.464072D+01  0.171584D+01  0.903611D+01  0.544337D+01  0.530677D+01
      5   0.356708D+01 -0.132576D+01  0.609280D+01  0.575543D+01  0.702216D+01
      6   0.764254D+00 -0.923178D+00  0.441189D+00 -0.965623D+01 -0.402760D+01
                16            17            18            19            20 
      1   0.122740D+02  0.501746D+01  0.444187D+01 -0.840655D+01 -0.343430D+00
      2  -0.624081D+01 -0.405043D+01 -0.465674D+01  0.951229D+01  0.849457D-02
      3  -0.603321D+01 -0.967029D+00  0.214866D+00 -0.110574D+01  0.334936D+00
      4   0.376281D+01  0.519305D+01  0.800251D+01 -0.886700D+00  0.290957D+01
      5  -0.926833D+00  0.812646D+01 -0.940182D+01 -0.177065D+01 -0.468656D+00
      6   0.270091D+00 -0.570101D+01  0.953506D+00  0.295108D+01 -0.250857D+01
                21            22            23            24            25 
      1   0.480319D-01  0.508065D+01  0.233028D+01 -0.154268D+01 -0.386037D+01
      2   0.162447D+01 -0.199082D+01 -0.499687D+01 -0.294705D+01  0.275232D+01
      3  -0.167250D+01 -0.308983D+01  0.266659D+01  0.448973D+01  0.110804D+01
      4   0.888036D+00 -0.676310D+01  0.480816D+01  0.513020D+00 -0.378570D+01
      5   0.644289D+00 -0.261530D+01  0.330599D+00  0.271061D+01 -0.971238D+00
      6   0.920272D+00 -0.932014D+00  0.869121D+00 -0.474623D+01 -0.148939D+00
                26            27            28            29            30 
      1  -0.137345D+01  0.983963D+01 -0.596887D+01  0.993079D+01  0.150924D+01
      2  -0.812907D+01  0.799279D+01  0.431225D+00 -0.756285D+01 -0.543697D+01
      3   0.950252D+01 -0.178324D+02  0.553765D+01 -0.236794D+01  0.392773D+01
      4   0.513706D+00  0.599441D+00  0.460481D+01 -0.784396D+01 -0.264438D+01
      5  -0.886334D+00  0.560508D+00  0.312093D+01 -0.299657D+01 -0.704349D+01
      6  -0.314549D+01  0.922150D+01 -0.129964D+01 -0.183951D+01 -0.136712D+01
                31            32            33            34            35 
      1   0.103123D+01  0.936127D+01  0.356980D+01  0.296744D+01 -0.158063D+00
      2  -0.301318D+01 -0.182058D+02  0.382952D+01 -0.415812D+01 -0.328277D+01
      3   0.198195D+01  0.884453D+01 -0.739932D+01  0.119068D+01  0.344083D+01
      4  -0.161971D+02 -0.225509D+02 -0.580727D+01 -0.864176D+01 -0.299462D+01
      5  -0.843743D+01 -0.745192D+01 -0.547919D+01 -0.246227D+00 -0.384057D+01
      6  -0.278591D+01 -0.825885D+01 -0.107738D+02 -0.302205D+01  0.125195D+01
                36            37            38            39            40 
      1  -0.326414D+01  0.487652D+02 -0.660353D+01 -0.493267D+01  0.708802D+01
      2  -0.322912D+01 -0.288626D+02  0.719325D+00  0.606496D+01 -0.775558D+01
      3   0.649326D+01 -0.199025D+02  0.588420D+01 -0.113229D+01  0.667562D+00
      4  -0.490904D+01 -0.160809D+02  0.160394D+02  0.227852D+01  0.152217D+02
      5   0.344489D+01 -0.891221D+01  0.158359D+01  0.156977D+02 -0.175033D+00
      6  -0.716830D+01 -0.593815D+00 -0.485174D+00 -0.280059D+01 -0.150676D+01
                41            42            43            44            45 
      1   0.105216D+02 -0.616488D+00 -0.303588D+01  0.206908D+01  0.544502D+01
      2  -0.362197D+01 -0.107045D+01  0.285472D+01 -0.123770D+01 -0.972826D+01
      3  -0.689967D+01  0.168694D+01  0.181153D+00 -0.831373D+00  0.428324D+01
      4  -0.107027D+01 -0.446572D+00  0.344552D+01 -0.621824D+00 -0.343393D+01
      5  -0.490960D+00 -0.585470D+00  0.149700D+02 -0.407685D+01 -0.113883D+02
      6  -0.987543D+00  0.630158D+01 -0.114425D+01  0.473024D+01  0.159053D+01
                46            47            48            49            50 
      1   0.773542D+01  0.139497D+02 -0.890995D+01  0.133183D+02 -0.282171D+01
      2  -0.874740D+01 -0.598175D+00  0.530923D+01  0.613622D-01  0.586938D+01
      3   0.101199D+01 -0.133515D+02  0.360072D+01 -0.133796D+02 -0.304767D+01
      4   0.118079D+02 -0.175007D+02  0.603342D+01 -0.178927D+02  0.411358D+01
      5  -0.598406D+01  0.100177D+02 -0.643153D+01  0.871072D+01 -0.130976D+02
      6   0.166622D+02 -0.533107D+01 -0.311445D+01 -0.578552D+01  0.222820D+01
                51            52            53            54            55 
      1   0.313044D+01 -0.821172D+01  0.206655D+01 -0.601168D+01  0.146158D+02
      2   0.119644D+02  0.451711D+01  0.948332D+01  0.230998D+01 -0.107288D+02
      3  -0.150949D+02  0.369461D+01 -0.115499D+02  0.370170D+01 -0.388700D+01
      4  -0.829389D+01  0.360301D+01 -0.578711D+01 -0.887651D+01 -0.217613D+01
      5  -0.993642D+01 -0.691322D+01 -0.103700D+02  0.555010D+01 -0.111895D+01
      6  -0.787978D+01 -0.340091D+01 -0.521570D+01 -0.108418D+02 -0.665364D+00
                56            57            58            59            60 
      1   0.729799D+01  0.138194D+00  0.493228D+01 -0.964059D+01 -0.631890D+01
      2  -0.138383D+02  0.366203D+01 -0.115789D+02  0.130622D+02  0.945305D+01
      3   0.654034D+01 -0.380023D+01  0.664658D+01 -0.342164D+01 -0.313416D+01
      4  -0.175468D+01 -0.119726D+01  0.341144D+01 -0.125199D+02  0.354678D+00
      5   0.129501D+00  0.275401D+01  0.846476D+00 -0.665016D+00 -0.226566D+01
      6   0.190373D+01 -0.813737D+01  0.157800D+01  0.119057D+02  0.570457D+01
                61            62            63            64            65 
      1  -0.199391D+01 -0.674016D+01  0.296230D+00  0.106619D+02  0.557089D+01
      2   0.626833D+01  0.129090D+02  0.822409D+00 -0.251491D+01  0.126608D+01
      3  -0.427441D+01 -0.616881D+01 -0.111864D+01 -0.814700D+01 -0.683698D+01
      4   0.334826D+00  0.142645D+01 -0.797227D+01  0.158393D+02  0.189659D+02
      5   0.329622D+01 -0.182611D+01 -0.375095D+01  0.678566D+01  0.554990D+01
      6  -0.871864D+01  0.256802D+01 -0.412473D+01  0.327066D+01  0.300830D+01
                66            67            68            69            70 
      1   0.129501D+01  0.898337D+01 -0.218115D+02 -0.611119D+01  0.267287D+01
      2  -0.971697D+00  0.652218D+00  0.394646D+02  0.188247D+01 -0.106958D+01
      3  -0.323315D+00 -0.963559D+01 -0.176530D+02  0.422872D+01 -0.160328D+01
      4   0.455415D+01  0.224092D+02  0.441359D+02  0.950445D+01  0.469109D+01
      5   0.952579D+01  0.617306D+01  0.113001D+02  0.114355D+02  0.100614D+02
      6   0.430683D+01  0.520089D+01  0.129248D+02  0.169462D+02  0.487093D+01
                71            72            73            74            75 
      1  -0.499793D+01 -0.629956D+01  0.817558D+00  0.642569D+00 -0.381249D+00
      2   0.261627D+01  0.364284D+00 -0.384871D+01 -0.466167D+00 -0.381241D+00
      3   0.238166D+01  0.593528D+01  0.303115D+01 -0.176403D+00  0.762490D+00
      4   0.666317D+01  0.122377D+02 -0.202420D+00  0.154369D+01 -0.185558D+01
      5   0.124840D+02  0.103963D+02  0.196942D+00 -0.131750D+01  0.535888D+01
      6   0.141423D+02  0.951318D+01 -0.223567D+01  0.750530D+00 -0.165228D+00
                76            77            78            79            80 
      1   0.109886D+00 -0.527657D+01  0.365393D+01  0.530407D+00  0.533263D+01
      2   0.269613D+00  0.168179D+01 -0.624510D+00  0.170304D+00  0.471145D+00
      3  -0.379499D+00  0.359478D+01 -0.302942D+01 -0.700711D+00 -0.580377D+01
      4   0.256476D+01 -0.104046D+01  0.449050D+00 -0.505702D+00  0.798449D+00
      5  -0.530606D+00 -0.168059D-01 -0.491928D+00  0.529528D+01  0.100798D+00
      6   0.825643D+00 -0.437926D+01  0.838484D+01  0.297223D+00  0.756651D+01
                81            82            83            84            85 
      1  -0.182471D+02 -0.679318D+00 -0.120829D+01 -0.288909D+01 -0.291660D+01
      2  -0.131192D+02  0.239323D+01  0.985598D+00  0.199002D+01  0.234663D+01
      3   0.313662D+02 -0.171391D+01  0.222691D+00  0.899077D+00  0.569966D+00
      4  -0.461777D+00 -0.355977D+00  0.306017D+01  0.148569D+01  0.234755D+01
      5   0.125914D+01 -0.214235D+01  0.133433D+01  0.195669D+01  0.106601D+01
      6  -0.134130D+02  0.308414D+01  0.577329D+00  0.630372D+00  0.760936D+00
                86            87            88            89            90 
      1  -0.135061D+02 -0.529370D+01 -0.423477D+01 -0.607832D+01 -0.730941D+01
      2   0.179783D+02  0.664198D+01  0.236638D+01  0.437207D+01  0.249638D+01
      3  -0.447226D+01 -0.134828D+01  0.186840D+01  0.170626D+01  0.481302D+01
      4  -0.111878D+02 -0.448132D+01  0.286851D+00 -0.458987D+01 -0.435511D+01
      5  -0.440742D+01 -0.585249D+01  0.255248D+01 -0.465649D+01 -0.400100D+01
      6   0.122560D+02  0.987285D+01  0.994146D+00  0.103442D+02  0.936475D+01
                91            92            93            94            95 
      1  -0.112745D+02 -0.365121D+01  0.210743D+00 -0.159576D+02 -0.555167D+01
      2   0.101670D+02  0.807955D+00 -0.108787D+00  0.926601D+01  0.796341D+01
      3   0.110747D+01  0.284326D+01 -0.101957D+00  0.669159D+01 -0.241174D+01
      4  -0.354642D+01  0.316145D+00 -0.126044D+00  0.664138D+01 -0.149426D+02
      5   0.909493D+00  0.458890D+00 -0.141185D+01  0.277454D+01 -0.288037D+01
      6   0.754142D+00 -0.405911D+00 -0.190621D+01 -0.814651D+00  0.273821D+01
                96            97            98            99           100 
      1  -0.938250D-01 -0.150260D+01 -0.127736D+01 -0.649195D+00 -0.781377D+00
      2   0.559146D+00  0.126439D+01  0.116929D+01 -0.309942D+00 -0.226174D+00
      3  -0.465321D+00  0.238217D+00  0.108073D+00  0.959137D+00  0.100755D+01
      4  -0.388109D+01  0.994120D+00 -0.305644D+01 -0.301741D+01  0.185841D+01
      5  -0.513710D+01  0.326388D+01 -0.249859D+01 -0.257254D+01  0.213463D+01
      6   0.179995D+01 -0.177655D+01  0.261729D+01  0.166844D+01  0.331531D+01
               101           102           103           104           105 
      1  -0.248063D+01 -0.172523D+01 -0.284185D+00 -0.174155D+01 -0.137312D+01
      2   0.383029D+01 -0.590906D+00  0.138576D+01  0.142080D+01  0.197392D+01
      3  -0.134966D+01  0.231613D+01 -0.110157D+01  0.320751D+00 -0.600803D+00
      4   0.328328D+01  0.301599D+01  0.272298D+01  0.156160D+01  0.161537D+01
      5   0.817148D+00  0.334752D+01  0.441648D+00  0.169275D+01  0.745199D+00
      6   0.278123D+01  0.620964D+01  0.187613D+01  0.162739D+01  0.328986D+01
               106           107           108           109           110 
      1  -0.131116D+01 -0.421439D+01 -0.742476D+01 -0.154016D+01 -0.690993D+01
      2  -0.221860D+01  0.489868D+01 -0.409117D+01  0.564810D+01  0.141463D+02
      3   0.352977D+01 -0.684293D+00  0.115159D+02 -0.410794D+01 -0.723635D+01
      4   0.549223D+01  0.201529D+01  0.481309D+01  0.492114D+01  0.887637D+01
      5   0.359177D+01  0.681660D+00  0.455976D+01 -0.146212D+01 -0.916237D+00
      6   0.539054D+01  0.558572D+01  0.153304D+02 -0.233559D+01 -0.343782D+01
               111           112           113           114           115 
      1   0.455550D+00 -0.519400D+01 -0.158402D+02  0.357646D+01  0.204237D+01
      2  -0.239726D+01  0.104094D+02  0.300473D+02 -0.683007D+01 -0.375690D+01
      3   0.194171D+01 -0.521538D+01 -0.142072D+02  0.325361D+01  0.171452D+01
      4  -0.173894D+01  0.861537D+01  0.102514D+02 -0.290184D+01 -0.302479D+01
      5   0.179694D+01  0.119810D+00 -0.125238D+01  0.759923D+00  0.169541D+01
      6   0.323891D+01 -0.328824D+01 -0.829877D+01  0.613552D+01  0.375678D+01
               116           117           118           119           120 
      1   0.722318D+01 -0.469841D+01 -0.973964D+01 -0.920894D+01  0.105314D+02
      2  -0.118007D+02  0.552432D+01  0.560030D+01  0.613770D+01 -0.896972D+00
      3   0.457747D+01 -0.825912D+00  0.413934D+01  0.307124D+01 -0.963439D+01
      4  -0.398044D+01  0.323778D+01  0.766821D+01  0.449835D+01 -0.235877D+01
      5   0.140052D+01 -0.928187D+00 -0.990214D+01 -0.416417D+01  0.337001D+01
      6   0.923688D+01 -0.615470D+01 -0.794056D+01 -0.767211D+01  0.858101D+01
               121           122           123           124           125 
      1  -0.798765D+01 -0.901604D+01  0.625150D+01  0.738335D+01  0.531848D+01
      2   0.553944D+01  0.805265D+01 -0.370720D+01 -0.453181D+00 -0.248629D+01
      3   0.244821D+01  0.963399D+00 -0.254430D+01 -0.693017D+01 -0.283219D+01
      4   0.544566D+01  0.849157D+00  0.191012D+00 -0.177355D+01 -0.580186D+00
      5  -0.465457D+01 -0.560317D+00  0.155910D+01  0.504819D+01  0.226254D+01
      6  -0.529529D+01 -0.893906D+01  0.814497D+01  0.634750D+01  0.701385D+01
               126           127           128           129           130 
      1  -0.849917D+01  0.167262D+02 -0.726867D+01  0.213333D+01 -0.686916D+01
      2  -0.416866D+00 -0.404239D+01 -0.276176D+01 -0.312554D+01 -0.329531D+01
      3   0.891603D+01 -0.126838D+02  0.100304D+02  0.992209D+00  0.101645D+02
      4   0.312941D+01 -0.228858D+02  0.200914D+02 -0.778681D+01  0.194183D+02
      5  -0.316347D+01  0.170730D+02 -0.116908D+02  0.117997D+02 -0.107882D+02
      6  -0.616956D+01 -0.109185D+02  0.103958D+02 -0.696509D+01  0.908205D+01
               131           132           133           134           135 
      1  -0.736672D+00  0.156647D+01  0.451083D+00  0.101420D+01  0.662498D+00
      2   0.109625D+02 -0.186177D+01 -0.232724D+01  0.900408D-01 -0.151018D+01
      3  -0.102258D+02  0.295296D+00  0.187616D+01 -0.110425D+01  0.847681D+00
      4  -0.221567D+02  0.783111D+01 -0.391253D+01  0.438133D+01 -0.588482D+01
      5   0.115358D+02 -0.680525D+01  0.890930D+01 -0.554020D+01  0.606994D+01
      6  -0.138101D+02  0.969661D+01 -0.530442D+01  0.764624D+01 -0.466083D+01
               136           137           138           139           140 
      1   0.145951D+01  0.104061D+01  0.263006D+01  0.237546D+01 -0.216116D+01
      2  -0.340429D+01 -0.285576D+01 -0.468466D+01 -0.425754D+01 -0.408256D+01
      3   0.194477D+01  0.181515D+01  0.205460D+01  0.188208D+01  0.624372D+01
      4   0.126111D+01  0.508713D+01  0.737670D+00  0.449554D+01  0.826621D+01
      5   0.623017D+01  0.278468D+01  0.834600D+01  0.549910D+01  0.795561D+01
      6   0.545285D+00  0.293134D+01  0.146128D+01  0.230636D+01  0.117157D+02
               141           142           143           144           145 
      1  -0.508560D+01  0.201431D+01 -0.318021D+01 -0.769683D+01  0.124051D+01
      2  -0.965850D+01 -0.435293D+01 -0.674175D+01 -0.134562D+02 -0.340955D+01
      3   0.147441D+02  0.233862D+01  0.992196D+01  0.211530D+02  0.216904D+01
      4   0.571663D+01  0.519766D+00  0.488492D+01  0.532536D+01 -0.599704D+00
      5   0.115967D+02  0.751264D+01  0.664786D+01  0.136073D+02 -0.491878D+01
      6   0.768075D+01  0.142476D+01  0.845646D+01  0.682026D+01 -0.860285D+00
               146           147           148           149           150 
      1  -0.505289D+00 -0.617719D+01 -0.971415D+00 -0.878011D+00  0.288963D+01
      2   0.248634D+00  0.324226D+01  0.685576D-01 -0.735838D+00  0.155636D+01
      3   0.256655D+00  0.293493D+01  0.902857D+00  0.161385D+01 -0.444600D+01
      4   0.243309D+01 -0.113842D+01  0.510072D+01  0.536548D+01 -0.596923D+01
      5  -0.876532D+00  0.677568D+01 -0.197652D+01 -0.572534D+01  0.863829D+01
      6  -0.871381D-01  0.359864D+00 -0.144112D+01 -0.361983D+01  0.798382D+01
               151           152           153           154           155 
      1  -0.801862D+01  0.293558D+01 -0.133599D+02  0.100716D+02  0.542472D+01
      2   0.814863D+01  0.173515D+01 -0.188318D+02 -0.180529D+01 -0.130823D+00
      3  -0.130013D+00 -0.467073D+01  0.321917D+02 -0.826633D+01 -0.529390D+01
      4  -0.284525D+01 -0.657864D+01  0.826875D+01  0.709909D+01  0.123173D+02
      5   0.144485D+02  0.900737D+01 -0.431708D+02  0.391623D+01  0.298888D+01
      6   0.111956D+01  0.752418D+01 -0.813604D+01  0.118934D+01 -0.454392D+00
               156           157           158           159           160 
      1   0.450313D+01  0.101876D+02  0.542321D+01  0.145253D+01  0.101134D+02
      2  -0.141786D+01 -0.195652D+01  0.979577D+01  0.350115D+01 -0.414957D+01
      3  -0.308527D+01 -0.823110D+01 -0.152190D+02 -0.495368D+01 -0.596387D+01
      4   0.395822D+01  0.165423D+02  0.296652D+02  0.827718D+01  0.645229D+01
      5   0.292338D+01  0.206406D+01  0.799150D+01  0.101893D+02  0.427784D+01
      6   0.498884D+00 -0.318802D+00  0.563292D+00  0.351916D+01  0.139099D+01
               161           162           163           164           165 
      1   0.265379D+01  0.490998D-01  0.557271D+02 -0.195478D+02  0.760208D+00
      2   0.305611D+01  0.131412D-01 -0.267519D+02  0.875229D+01  0.708190D+00
      3  -0.570990D+01 -0.622410D-01 -0.289752D+02  0.107955D+02 -0.146840D+01
      4   0.119716D+02  0.864132D+01 -0.224561D+02  0.168826D+02  0.476536D+00
      5   0.901311D+01  0.670189D+01 -0.618437D+01  0.261479D+01  0.807072D+01
      6   0.334566D+01  0.236609D+01  0.400560D+01 -0.297080D+01 -0.108189D+01
               166           167           168           169           170 
      1  -0.276947D+02  0.141017D+02  0.103562D+01  0.710705D+01 -0.872091D+00
      2   0.120192D+02 -0.245995D+01 -0.880660D+00 -0.226473D+01  0.620043D+00
      3   0.156755D+02 -0.116417D+02 -0.154963D+00 -0.484232D+01  0.252048D+00
      4   0.212350D+02 -0.181492D+02  0.134588D+01 -0.116583D+01  0.309628D+01
      5   0.484587D+01 -0.442480D+00 -0.541499D+01  0.864901D+01 -0.301313D+01
      6  -0.349086D+01  0.342886D+01  0.227677D+01 -0.144182D+01  0.203500D+01
               171 
      1   0.473335D+01
      2  -0.392869D+01
      3  -0.804653D+00
      4  -0.298610D+01
      5  -0.203359D+01
      6  -0.374296D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.154786D+01      0.393428D+01      0.131233D+02
   y          0.136513D+01      0.346982D+01      0.115741D+02
   z          0.164283D+00      0.417565D+00      0.139285D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.807011D+02      0.119587D+02      0.133058D+02
   yx        -0.457665D-02     -0.678190D-03     -0.754588D-03
   yy         0.752912D+02      0.111570D+02      0.124138D+02
   zx        -0.185131D+01     -0.274336D+00     -0.305240D+00
   zy         0.127550D+01      0.189009D+00      0.210301D+00
   zz         0.661928D+02      0.980876D+01      0.109137D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.780243D+02      0.115620D+02      0.128645D+02
   aniso      0.136663D+02      0.202514D+01      0.225327D+01
   xx         0.847483D+02      0.125584D+02      0.139731D+02
   yx        -0.155587D+00     -0.230556D-01     -0.256528D-01
   yy         0.794411D+02      0.117720D+02      0.130981D+02
   zx        -0.184090D+01     -0.272793D+00     -0.303523D+00
   zy         0.144824D+01      0.214606D+00      0.238782D+00
   zz         0.698836D+02      0.103557D+02      0.115222D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.03710086         -1.09842908          3.53932826
     6          1.71661404         -1.29760070          0.98095161
     6          0.22880301          1.12916899          0.37949233
     6         -0.66596329          1.14697422         -2.39244329
     8         -2.98841012          2.08991917         -2.71344322
     6          0.05751645         -3.65876329          0.82536092
     7         -1.91474647          1.69486481          2.05255782
     8          0.62535381          0.43068347         -4.11637230
     1          1.53851496          2.72335584          0.50867969
     1          3.14909156         -1.43991957         -0.49640871
     1         -3.57907889          2.50532414         -0.99789162
     1         -2.71854940          0.09691596          2.73392447
     1         -1.40008244          2.77425213          3.54056080
     1         -0.85478408         -3.82277760         -1.01540975
     1          1.19735469         -5.35165741          1.11392006
     1         -1.40774856         -3.67449984          2.28451712
     1          4.27801417          0.54925867          3.62055300
     1          1.67381743         -0.94532920          5.08403066
     1          4.18668751         -2.77189868          3.89800763

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.207038D+01      0.526237D+01      0.175534D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.736711D+02      0.109169D+02      0.121467D+02
   yx        -0.590766D+01     -0.875425D+00     -0.974041D+00
   yy         0.703470D+02      0.104243D+02      0.115987D+02
   zx         0.277889D+01      0.411789D+00      0.458177D+00
   zy        -0.886233D+00     -0.131326D+00     -0.146120D+00
   zz         0.781671D+02      0.115832D+02      0.128880D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.780243D+02      0.115620D+02      0.128645D+02
   aniso      0.136663D+02      0.202514D+01      0.225327D+01
   xx         0.777175D+02      0.115165D+02      0.128139D+02
   yx        -0.621120D+01     -0.920405D+00     -0.102409D+01
   yy         0.742285D+02      0.109995D+02      0.122386D+02
   zx         0.267585D+01      0.396520D+00      0.441188D+00
   zy        -0.921542D+00     -0.136558D+00     -0.151942D+00
   zz         0.821271D+02      0.121700D+02      0.135409D+02

 ----------------------------------------------------------------------
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 SOME PHYSICISTS WOULD PREFER TO COME BACK TO THE IDEA OF AN OBJECTIVE
 REAL WORLD WHOSE SMALLEST PARTS EXIST OBJECTIVELY IN THE SAME SENSE AS
 STONES OR TREES EXIST INDEPENDENTLY OF WHETHER WE OBSERVE THEM.
 THIS, HOWEVER, IS IMPOSSIBLE.  -- WERNER HEISENBERG
 Job cpu time:       0 days  3 hours 12 minutes  3.3 seconds.
 Elapsed time:       0 days  0 hours 24 minutes  4.2 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:08:06 2021.
